3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide

C16H19N3O2 — CID 18190087

IUPAC3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H19N3O2/c1-11-15(12(2)21-18-11)16(20)17-13-7-3-4-8-14(13)19-9-5-6-10-19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,17,20)
InChIKeyATALNOPGRQNWDV-UHFFFAOYSA-N
MW285.35 g/mol
LogP3.14
Rot. Bonds3

About 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide

3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide (PubChem CID 18190087) has the molecular formula C16H19N3O2 and a molecular weight of 285.35 g/mol. Its IUPAC name is 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound Name3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
PubChem CID18190087
Molecular FormulaC16H19N3O2
Molecular Weight285.35 g/mol
Exact Mass285.15
IUPAC Name3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
SMILESCc1noc(C)c1C(=O)Nc1ccccc1N1CCCC1
InChIInChI=1S/C16H19N3O2/c1-11-15(12(2)21-18-11)16(20)17-13-7-3-4-8-14(13)19-9-5-6-10-19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,17,20)
InChIKeyATALNOPGRQNWDV-UHFFFAOYSA-N
XLogP3.14
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3,5-dimethyl-N-[2-methyl-4-[(3S)-3-[(2S)-2-methylpyrrolidin-1-yl]pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265089
5-amino-N-(2-fluorophenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 1263600
N-(4-cyanophenyl)-3,5-dimethylisoxazole-4-carboxamide
CID 2741509
N-{4-[(3,5-dimethylisoxazol-4-yl)carbonylamino]phenyl}acetamide
CID 4791027
N-[4-(diethylamino)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 4791029
N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800687
N-[4-(diethylcarbamoyl)phenyl]-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 9502259
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146
3,5-dimethyl-N-[3-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265090
3,5-dimethyl-N-[2-methyl-4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265091
3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265092
5-amino-N-(4-fluorophenyl)-3-methylisoxazole-4-carboxamide
CID 1263621

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide?
The IUPAC name of 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide (CID 18190087) is 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide.
What is the SMILES notation for 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide?
The canonical SMILES for 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide is Cc1noc(C)c1C(=O)Nc1ccccc1N1CCCC1.
What is the InChIKey of 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide?
The InChIKey is ATALNOPGRQNWDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O2/c1-11-15(12(2)21-18-11)16(20)17-13-7-3-4-8-14(13)19-9-5-6-10-19/h3-4,7-8H,5-6,9-10H2,1-2H3,(H,17,20).
What are the key properties of 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide?
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide has a molecular weight of 285.35 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 18190087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).