4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine

C103H136F3N25O6S — CID 162097108

IUPAC4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine
SMILESCC(C)(C)c1ccn(-c2cc[nH]c(=O)c2)n1.CC(C)(C)c1ccn(-c2ccnc(C#N)c2)n1.CC(C)(C)c1ccn(-c2ccnc(C(C)(C)O)c2)n1.CC(C)(C)c1ccn(-c2ccnc(CO)c2)n1.CC(C)(C)c1ccn(-c2ccnc(NCC(F)(F)F)c2)n1.CC1COCCN1c1nc(C(C)(C)C)cs1.COc1cc(-n2ccc(C(C)(C)C)n2)ccn1.Cc1cn(-c2nc(C(C)(C)C)co2)cn1
InChIInChI=1S/C15H21N3O.C14H17F3N4.C13H14N4.2C13H17N3O.C12H15N3O.C12H20N2OS.C11H15N3O/c1-14(2,3)12-7-9-18(17-12)11-6-8-16-13(10-11)15(4,5)19;1-13(2,3)11-5-7-21(20-11)10-4-6-18-12(8-10)19-9-14(15,16)17;1-13(2,3)12-5-7-17(16-12)11-4-6-15-10(8-11)9-14;1-13(2,3)11-6-8-16(15-11)10-5-7-14-12(9-10)17-4;1-13(2,3)12-5-7-16(15-12)11-4-6-14-10(8-11)9-17;1-12(2,3)10-5-7-15(14-10)9-4-6-13-11(16)8-9;1-9-7-15-6-5-14(9)11-13-10(8-16-11)12(2,3)4;1-8-5-14(7-12-8)10-13-9(6-15-10)11(2,3)4/h6-10,19H,1-5H3;4-8H,9H2,1-3H3,(H,18,19);4-8H,1-3H3;5-9H,1-4H3;4-8,17H,9H2,1-3H3;4-8H,1-3H3,(H,13,16);8-9H,5-7H2,1-4H3;5-7H,1-4H3
InChIKeyZEJXDWUTIQEUGM-UHFFFAOYSA-N
MW1909.45 g/mol
LogP20.39
Rot. Bonds13

About 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine

4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine (PubChem CID 162097108) has the molecular formula C103H136F3N25O6S and a molecular weight of 1909.45 g/mol. Its IUPAC name is 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine.

Molecular Properties

Compound Name4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine
PubChem CID162097108
Molecular FormulaC103H136F3N25O6S
Molecular Weight1909.45 g/mol
Exact Mass1908.08
IUPAC Name4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine
SMILESCC(C)(C)c1ccn(-c2cc[nH]c(=O)c2)n1.CC(C)(C)c1ccn(-c2ccnc(C#N)c2)n1.CC(C)(C)c1ccn(-c2ccnc(C(C)(C)O)c2)n1.CC(C)(C)c1ccn(-c2ccnc(CO)c2)n1.CC(C)(C)c1ccn(-c2ccnc(NCC(F)(F)F)c2)n1.CC1COCCN1c1nc(C(C)(C)C)cs1.COc1cc(-n2ccc(C(C)(C)C)n2)ccn1.Cc1cn(-c2nc(C(C)(C)C)co2)cn1
InChIInChI=1S/C15H21N3O.C14H17F3N4.C13H14N4.2C13H17N3O.C12H15N3O.C12H20N2OS.C11H15N3O/c1-14(2,3)12-7-9-18(17-12)11-6-8-16-13(10-11)15(4,5)19;1-13(2,3)11-5-7-21(20-11)10-4-6-18-12(8-10)19-9-14(15,16)17;1-13(2,3)12-5-7-17(16-12)11-4-6-15-10(8-11)9-14;1-13(2,3)11-6-8-16(15-11)10-5-7-14-12(9-10)17-4;1-13(2,3)12-5-7-16(15-12)11-4-6-14-10(8-11)9-17;1-12(2,3)10-5-7-15(14-10)9-4-6-13-11(16)8-9;1-9-7-15-6-5-14(9)11-13-10(8-16-11)12(2,3)4;1-8-5-14(7-12-8)10-13-9(6-15-10)11(2,3)4/h6-10,19H,1-5H3;4-8H,9H2,1-3H3,(H,18,19);4-8H,1-3H3;5-9H,1-4H3;4-8,17H,9H2,1-3H3;4-8H,1-3H3,(H,13,16);8-9H,5-7H2,1-4H3;5-7H,1-4H3
InChIKeyZEJXDWUTIQEUGM-UHFFFAOYSA-N
XLogP20.39
TPSA358.95 Ų
H-Bond Donors4
H-Bond Acceptors31
Rotatable Bonds13
Heavy Atoms138
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001909.45
LogP ≤ 520.39
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1031

Analyze 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine?
The IUPAC name of 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine (CID 162097108) is 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine.
What is the SMILES notation for 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine?
The canonical SMILES for 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine is CC(C)(C)c1ccn(-c2cc[nH]c(=O)c2)n1.CC(C)(C)c1ccn(-c2ccnc(C#N)c2)n1.CC(C)(C)c1ccn(-c2ccnc(C(C)(C)O)c2)n1.CC(C)(C)c1ccn(-c2ccnc(CO)c2)n1.CC(C)(C)c1ccn(-c2ccnc(NCC(F)(F)F)c2)n1.CC1COCCN1c1nc(C(C)(C)C)cs1.COc1cc(-n2ccc(C(C)(C)C)n2)ccn1.Cc1cn(-c2nc(C(C)(C)C)co2)cn1.
What is the InChIKey of 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine?
The InChIKey is ZEJXDWUTIQEUGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O.C14H17F3N4.C13H14N4.2C13H17N3O.C12H15N3O.C12H20N2OS.C11H15N3O/c1-14(2,3)12-7-9-18(17-12)11-6-8-16-13(10-11)15(4,5)19;1-13(2,3)11-5-7-21(20-11)10-4-6-18-12(8-10)19-9-14(15,16)17;1-13(2,3)12-5-7-17(16-12)11-4-6-15-10(8-11)9-14;1-13(2,3)11-6-8-16(15-11)10-5-7-14-12(9-10)17-4;1-13(2,3)12-5-7-16(15-12)11-4-6-14-10(8-11)9-17;1-12(2,3)10-5-7-15(14-10)9-4-6-13-11(16)8-9;1-9-7-15-6-5-14(9)11-13-10(8-16-11)12(2,3)4;1-8-5-14(7-12-8)10-13-9(6-15-10)11(2,3)4/h6-10,19H,1-5H3;4-8H,9H2,1-3H3,(H,18,19);4-8H,1-3H3;5-9H,1-4H3;4-8,17H,9H2,1-3H3;4-8H,1-3H3,(H,13,16);8-9H,5-7H2,1-4H3;5-7H,1-4H3.
What are the key properties of 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine?
4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine has a molecular weight of 1909.45 g/mol, XLogP of 20.39, 13 rotatable bonds, 4 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-2-(4-methylimidazol-1-yl)-1,3-oxazole;4-(3-tert-butylpyrazol-1-yl)-2-methoxypyridine;4-(3-tert-butylpyrazol-1-yl)pyridine-2-carbonitrile;4-(3-tert-butylpyrazol-1-yl)-1H-pyridin-2-one;[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]methanol;2-[4-(3-tert-butylpyrazol-1-yl)-2-pyridinyl]propan-2-ol;4-(3-tert-butylpyrazol-1-yl)-N-(2,2,2-trifluoroethyl)pyridin-2-amine;4-(4-tert-butyl-1,3-thiazol-2-yl)-3-methylmorpholine is sourced from PubChem (CID 162097108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).