5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide

C16H19N3O2 — CID 119512632

IUPAC5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC1CCCN1
InChIInChI=1S/C16H19N3O2/c1-11-14(16(20)18-10-13-8-5-9-17-13)15(19-21-11)12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-10H2,1H3,(H,18,20)
InChIKeyLOGWFWCUVDWEBV-UHFFFAOYSA-N
MW285.35 g/mol
LogP2.13
Rot. Bonds4

About 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide

5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide (PubChem CID 119512632) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
PubChem CID119512632
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC1CCCN1
InChIInChI=1S/C16H19N3O2/c1-11-14(16(20)18-10-13-8-5-9-17-13)15(19-21-11)12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-10H2,1H3,(H,18,20)
InChIKeyLOGWFWCUVDWEBV-UHFFFAOYSA-N
XLogP2.13
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-methyl-3-phenyl-N-piperidin-3-yl-1,2-oxazole-4-carboxamide
CID 119427087
4-methyl-2-phenyl-N-(pyrrolidin-2-ylmethyl)-1,3-oxazole-5-carboxamide;hydrochloride
CID 119514825
N-[2-(4-fluorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 831462
2,2-dimethyl-3-[(5-methyl-3-phenyl-1,2-oxazole-4-carbonyl)amino]propanoic acid
CID 119249512
5-methyl-N-(4-methylcyclohexyl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 4799748
N-[2-(4-chlorophenyl)ethyl]-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 2078310
N-(azepan-4-yl)-N,5-dimethyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 154841992
1-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]-3-[[(2S)-pyrrolidin-2-yl]methyl]urea
CID 121495574
5-methyl-N-[4-(4-methylpiperidin-1-yl)butyl]-3-phenyl-1,2-oxazole-4-carboxamide
CID 60516330
1-(4-methylphenyl)-3-phenyl-N-(pyrrolidin-2-ylmethyl)pyrazole-4-carboxamide;hydrochloride
CID 126775451
3-(2-chlorophenyl)-5-methyl-N-(piperidin-3-ylmethyl)-1,2-oxazole-4-carboxamide
CID 119462319
N-benzyl-3-(4-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 50805807

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide (CID 119512632) is 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCC1CCCN1.
What is the InChIKey of 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
The InChIKey is LOGWFWCUVDWEBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-14(16(20)18-10-13-8-5-9-17-13)15(19-21-11)12-6-3-2-4-7-12/h2-4,6-7,13,17H,5,8-10H2,1H3,(H,18,20).
What are the key properties of 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide?
5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 2.13, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-phenyl-N-(pyrrolidin-2-ylmethyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 119512632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).