(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

C18H22N4O3 — CID 97465509

IUPAC(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NO[C@](C)(C(=O)NCc3cnn(C)c3C)C2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-14(11-20-22(12)3)10-19-17(23)18(2)9-16(21-25-18)13-5-7-15(24-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,19,23)/t18-/m0/s1
InChIKeyHQHNQESSVMJPHM-SFHVURJKSA-N
MW342.40 g/mol
LogP1.94
Rot. Bonds5

About (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide

(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (PubChem CID 97465509) has the molecular formula C18H22N4O3 and a molecular weight of 342.40 g/mol. Its IUPAC name is (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
PubChem CID97465509
Molecular FormulaC18H22N4O3
Molecular Weight342.40 g/mol
Exact Mass342.17
IUPAC Name(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NO[C@](C)(C(=O)NCc3cnn(C)c3C)C2)cc1
InChIInChI=1S/C18H22N4O3/c1-12-14(11-20-22(12)3)10-19-17(23)18(2)9-16(21-25-18)13-5-7-15(24-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,19,23)/t18-/m0/s1
InChIKeyHQHNQESSVMJPHM-SFHVURJKSA-N
XLogP1.94
TPSA77.74 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.40
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(3-fluorophenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 97465686
N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19491440
3-(4-methoxyphenyl)-N-[3-(2-methoxyphenyl)propyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 171133295
(5R)-3-(4-methoxyphenyl)-5-methyl-N-(5-methyl-1,3-thiazol-2-yl)-4H-1,2-oxazole-5-carboxamide
CID 97465557
3-(2-chlorophenyl)-N-[[5-(4-methoxyphenyl)-1H-pyrazol-4-yl]methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46977673
(5R)-3-(4-fluorophenyl)-N-[(4-fluorophenyl)methyl]-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 100815919
N-[(1,5-dimethylpyrazol-4-yl)methyl]-1-methyl-3-methylidenecyclobutane-1-carboxamide
CID 126840448
1-amino-N-[(1,5-dimethylpyrazol-4-yl)methyl]cyclopentane-1-carboxamide
CID 114140497
N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 46951661
(5R)-N-[5-(4-fluorophenyl)-1-methylimidazol-2-yl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide
CID 51688209
(4-ethylpiperazin-1-yl)-[3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazol-5-yl]methanone
CID 91946021
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-fluoro-4-methoxybenzamide
CID 103860981

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The IUPAC name of (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide (CID 97465509) is (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide.
What is the SMILES notation for (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The canonical SMILES for (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is COc1ccc(C2=NO[C@](C)(C(=O)NCc3cnn(C)c3C)C2)cc1.
What is the InChIKey of (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
The InChIKey is HQHNQESSVMJPHM-SFHVURJKSA-N. The full InChI is InChI=1S/C18H22N4O3/c1-12-14(11-20-22(12)3)10-19-17(23)18(2)9-16(21-25-18)13-5-7-15(24-4)8-6-13/h5-8,11H,9-10H2,1-4H3,(H,19,23)/t18-/m0/s1.
What are the key properties of (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide?
(5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide has a molecular weight of 342.40 g/mol, XLogP of 1.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(1,5-dimethylpyrazol-4-yl)methyl]-3-(4-methoxyphenyl)-5-methyl-4H-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97465509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).