azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole

C78H94FN11O7 — CID 158760191

IUPACazetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2ccc(F)cc2)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2cccnc2)on1.CC(C)c1cc(-c2ccncc2)on1.CC(C)c1ccc(C(=O)N(C)C)nc1.CC(C)c1ccc(C(=O)N2CCC2)nc1.COc1cc(C(C)C)ccn1
InChIInChI=1S/C12H12FNO.C12H16N2O.C12H13NO.2C11H12N2O.C11H16N2O.C9H13NO/c1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-9(2)10-4-5-11(13-8-10)12(15)14-6-3-7-14;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)10-7-11(14-13-10)9-3-5-12-6-4-9;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-8(2)9-5-6-10(12-7-9)11(14)13(3)4;1-7(2)8-4-5-10-9(6-8)11-3/h3-8H,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;5-8H,1-4H3;4-7H,1-3H3
InChIKeyIOOKJELDRDZAPS-UHFFFAOYSA-N
MW1316.68 g/mol
LogP18.96
Rot. Bonds14

About azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole

azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole (PubChem CID 158760191) has the molecular formula C78H94FN11O7 and a molecular weight of 1316.68 g/mol. Its IUPAC name is azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole.

Molecular Properties

Compound Nameazetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole
PubChem CID158760191
Molecular FormulaC78H94FN11O7
Molecular Weight1316.68 g/mol
Exact Mass1315.73
IUPAC Nameazetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole
SMILESCC(C)c1cc(-c2ccc(F)cc2)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2cccnc2)on1.CC(C)c1cc(-c2ccncc2)on1.CC(C)c1ccc(C(=O)N(C)C)nc1.CC(C)c1ccc(C(=O)N2CCC2)nc1.COc1cc(C(C)C)ccn1
InChIInChI=1S/C12H12FNO.C12H16N2O.C12H13NO.2C11H12N2O.C11H16N2O.C9H13NO/c1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-9(2)10-4-5-11(13-8-10)12(15)14-6-3-7-14;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)10-7-11(14-13-10)9-3-5-12-6-4-9;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-8(2)9-5-6-10(12-7-9)11(14)13(3)4;1-7(2)8-4-5-10-9(6-8)11-3/h3-8H,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;5-8H,1-4H3;4-7H,1-3H3
InChIKeyIOOKJELDRDZAPS-UHFFFAOYSA-N
XLogP18.96
TPSA218.42 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds14
Heavy Atoms97
Complexity

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001316.68
LogP ≤ 518.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Analyze azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole with MolForge

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Frequently Asked Questions

What is the IUPAC name of azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole?
The IUPAC name of azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole (CID 158760191) is azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole.
What is the SMILES notation for azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole?
The canonical SMILES for azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole is CC(C)c1cc(-c2ccc(F)cc2)on1.CC(C)c1cc(-c2ccccc2)no1.CC(C)c1cc(-c2cccnc2)on1.CC(C)c1cc(-c2ccncc2)on1.CC(C)c1ccc(C(=O)N(C)C)nc1.CC(C)c1ccc(C(=O)N2CCC2)nc1.COc1cc(C(C)C)ccn1.
What is the InChIKey of azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole?
The InChIKey is IOOKJELDRDZAPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO.C12H16N2O.C12H13NO.2C11H12N2O.C11H16N2O.C9H13NO/c1-8(2)11-7-12(15-14-11)9-3-5-10(13)6-4-9;1-9(2)10-4-5-11(13-8-10)12(15)14-6-3-7-14;1-9(2)12-8-11(13-14-12)10-6-4-3-5-7-10;1-8(2)10-7-11(14-13-10)9-3-5-12-6-4-9;1-8(2)10-6-11(14-13-10)9-4-3-5-12-7-9;1-8(2)9-5-6-10(12-7-9)11(14)13(3)4;1-7(2)8-4-5-10-9(6-8)11-3/h3-8H,1-2H3;4-5,8-9H,3,6-7H2,1-2H3;3-9H,1-2H3;2*3-8H,1-2H3;5-8H,1-4H3;4-7H,1-3H3.
What are the key properties of azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole?
azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole has a molecular weight of 1316.68 g/mol, XLogP of 18.96, 14 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for azetidin-1-yl-(5-propan-2-yl-2-pyridinyl)methanone;N,N-dimethyl-5-propan-2-ylpyridine-2-carboxamide;5-(4-fluorophenyl)-3-propan-2-yl-1,2-oxazole;2-methoxy-4-propan-2-ylpyridine;3-phenyl-5-propan-2-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-3-yl-1,2-oxazole;3-propan-2-yl-5-pyridin-4-yl-1,2-oxazole is sourced from PubChem (CID 158760191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).