4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine

C84H131ClN14O10 — CID 158512931

IUPAC4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine
SMILESCC(C)(C)c1cccc(OC2CCNC2)n1.CC(C)(C)c1coc(-c2ccncc2)n1.CC(C)(C)c1coc(N2CCOCC2)n1.C[C@@H]1COCCN1c1nc(C(C)(C)C)co1.C[C@H]1COCCN1c1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)o1.Cn1ncc(C(C)(C)C)c1Cl
InChIInChI=1S/C13H20N2O.2C12H20N2O2.C12H14N2O.C11H18N2O2.C8H13ClN2.2C8H13NO/c1-13(2,3)11-5-4-6-12(15-11)16-10-7-8-14-9-10;2*1-9-7-15-6-5-14(9)11-13-10(8-16-11)12(2,3)4;1-12(2,3)10-8-15-11(14-10)9-4-6-13-7-5-9;1-11(2,3)9-8-15-10(12-9)13-4-6-14-7-5-13;1-8(2,3)6-5-10-11(4)7(6)9;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4/h4-6,10,14H,7-9H2,1-3H3;2*8-9H,5-7H2,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;5H,1-4H3;2*5H,1-4H3/t;2*9-;;;;;/m.10...../s1
InChIKeyHLGZTSKOBPRCPC-RYBCCOFKSA-N
MW1532.51 g/mol
LogP18.29
Rot. Bonds6

About 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine

4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine (PubChem CID 158512931) has the molecular formula C84H131ClN14O10 and a molecular weight of 1532.51 g/mol. Its IUPAC name is 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine.

Molecular Properties

Compound Name4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine
PubChem CID158512931
Molecular FormulaC84H131ClN14O10
Molecular Weight1532.51 g/mol
Exact Mass1530.99
IUPAC Name4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine
SMILESCC(C)(C)c1cccc(OC2CCNC2)n1.CC(C)(C)c1coc(-c2ccncc2)n1.CC(C)(C)c1coc(N2CCOCC2)n1.C[C@@H]1COCCN1c1nc(C(C)(C)C)co1.C[C@H]1COCCN1c1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)o1.Cn1ncc(C(C)(C)C)c1Cl
InChIInChI=1S/C13H20N2O.2C12H20N2O2.C12H14N2O.C11H18N2O2.C8H13ClN2.2C8H13NO/c1-13(2,3)11-5-4-6-12(15-11)16-10-7-8-14-9-10;2*1-9-7-15-6-5-14(9)11-13-10(8-16-11)12(2,3)4;1-12(2,3)10-8-15-11(14-10)9-4-6-13-7-5-9;1-11(2,3)9-8-15-10(12-9)13-4-6-14-7-5-13;1-8(2,3)6-5-10-11(4)7(6)9;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4/h4-6,10,14H,7-9H2,1-3H3;2*8-9H,5-7H2,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;5H,1-4H3;2*5H,1-4H3/t;2*9-;;;;;/m.10...../s1
InChIKeyHLGZTSKOBPRCPC-RYBCCOFKSA-N
XLogP18.29
TPSA258.45 Ų
H-Bond Donors1
H-Bond Acceptors24
Rotatable Bonds6
Heavy Atoms109
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001532.51
LogP ≤ 518.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1024

Analyze 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine?
The IUPAC name of 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine (CID 158512931) is 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine.
What is the SMILES notation for 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine?
The canonical SMILES for 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine is CC(C)(C)c1cccc(OC2CCNC2)n1.CC(C)(C)c1coc(-c2ccncc2)n1.CC(C)(C)c1coc(N2CCOCC2)n1.C[C@@H]1COCCN1c1nc(C(C)(C)C)co1.C[C@H]1COCCN1c1nc(C(C)(C)C)co1.Cc1nc(C(C)(C)C)co1.Cc1ncc(C(C)(C)C)o1.Cn1ncc(C(C)(C)C)c1Cl.
What is the InChIKey of 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine?
The InChIKey is HLGZTSKOBPRCPC-RYBCCOFKSA-N. The full InChI is InChI=1S/C13H20N2O.2C12H20N2O2.C12H14N2O.C11H18N2O2.C8H13ClN2.2C8H13NO/c1-13(2,3)11-5-4-6-12(15-11)16-10-7-8-14-9-10;2*1-9-7-15-6-5-14(9)11-13-10(8-16-11)12(2,3)4;1-12(2,3)10-8-15-11(14-10)9-4-6-13-7-5-9;1-11(2,3)9-8-15-10(12-9)13-4-6-14-7-5-13;1-8(2,3)6-5-10-11(4)7(6)9;1-6-9-7(5-10-6)8(2,3)4;1-6-9-5-7(10-6)8(2,3)4/h4-6,10,14H,7-9H2,1-3H3;2*8-9H,5-7H2,1-4H3;4-8H,1-3H3;8H,4-7H2,1-3H3;5H,1-4H3;2*5H,1-4H3/t;2*9-;;;;;/m.10...../s1.
What are the key properties of 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine?
4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine has a molecular weight of 1532.51 g/mol, XLogP of 18.29, 6 rotatable bonds, 1 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-5-chloro-1-methylpyrazole;4-tert-butyl-2-methyl-1,3-oxazole;5-tert-butyl-2-methyl-1,3-oxazole;(3S)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;(3R)-4-(4-tert-butyl-1,3-oxazol-2-yl)-3-methylmorpholine;4-(4-tert-butyl-1,3-oxazol-2-yl)morpholine;4-tert-butyl-2-pyridin-4-yl-1,3-oxazole;2-tert-butyl-6-pyrrolidin-3-yloxypyridine is sourced from PubChem (CID 158512931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).