N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide

C19H19N3O2 — CID 97314515

IUPACN-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccncc3)on2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-4-6-16(7-5-13)17-12-18(24-21-17)19(23)22(3)14(2)15-8-10-20-11-9-15/h4-12,14H,1-3H3/t14-/m1/s1
InChIKeyODBYWHAPMANADH-CQSZACIVSA-N
MW321.38 g/mol
LogP3.88
Rot. Bonds4

About N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide

N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide (PubChem CID 97314515) has the molecular formula C19H19N3O2 and a molecular weight of 321.38 g/mol. Its IUPAC name is N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide
PubChem CID97314515
Molecular FormulaC19H19N3O2
Molecular Weight321.38 g/mol
Exact Mass321.15
IUPAC NameN-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide
SMILESCc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccncc3)on2)cc1
InChIInChI=1S/C19H19N3O2/c1-13-4-6-16(7-5-13)17-12-18(24-21-17)19(23)22(3)14(2)15-8-10-20-11-9-15/h4-12,14H,1-3H3/t14-/m1/s1
InChIKeyODBYWHAPMANADH-CQSZACIVSA-N
XLogP3.88
TPSA59.23 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-aminopropan-2-yl)-N-methyl-3-phenyl-1,2-oxazole-5-carboxamide;hydrochloride
CID 119584563
3,5-dibromo-4-hydroxy-N-methyl-N-[(1R)-1-pyridin-4-ylethyl]benzamide
CID 97326605
2-methyl-3-[[3-(4-methylphenyl)-1,2-oxazole-5-carbonyl]amino]propanoic acid
CID 119237689
methyl 3-(4-methylphenyl)-1,2-oxazole-5-carboxylate
CID 776547
4-chloro-N-methyl-N-[1-(4-methylphenyl)ethyl]pyridine-3-carboxamide
CID 81226725
N,3-dimethyl-N-[1-[4-(1,2,4-triazol-1-yl)phenyl]ethyl]-1,2-oxazole-5-carboxamide
CID 51207161
4-fluoro-N,2-dimethyl-N-(1-pyridin-4-ylethyl)benzamide
CID 115745848
4-amino-N,5-dimethyl-N-(1-pyridin-4-ylethyl)thiophene-2-carboxamide
CID 61114386
2-amino-N,4-dimethyl-N-(1-pyridin-4-ylethyl)-1,3-thiazole-5-carboxamide
CID 62792415
3-amino-4-bromo-N-methyl-N-(1-pyridin-4-ylethyl)benzamide
CID 61116655
2-amino-N-methyl-N-(1-pyridin-4-ylethyl)propanamide
CID 60964247
N-(1-imino-1-oxothiolan-3-yl)-N-methyl-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide
CID 166269927

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide (CID 97314515) is N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide is Cc1ccc(-c2cc(C(=O)N(C)[C@H](C)c3ccncc3)on2)cc1.
What is the InChIKey of N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide?
The InChIKey is ODBYWHAPMANADH-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N3O2/c1-13-4-6-16(7-5-13)17-12-18(24-21-17)19(23)22(3)14(2)15-8-10-20-11-9-15/h4-12,14H,1-3H3/t14-/m1/s1.
What are the key properties of N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide?
N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide has a molecular weight of 321.38 g/mol, XLogP of 3.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(4-methylphenyl)-N-[(1R)-1-pyridin-4-ylethyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 97314515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).