1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

C23H29N3O3 — CID 110624664

IUPAC1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2C(=O)CC(c2ccc(C)c(C)c2)C2CC2)no1
InChIInChI=1S/C23H29N3O3/c1-14-6-7-18(11-15(14)2)19(17-8-9-17)13-22(27)26-10-4-5-20(26)23(28)24-21-12-16(3)29-25-21/h6-7,11-12,17,19-20H,4-5,8-10,13H2,1-3H3,(H,24,25,28)
InChIKeyHYHVTGIRLXEMBO-UHFFFAOYSA-N
MW395.50 g/mol
LogP4.11
Rot. Bonds6

About 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide

1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (PubChem CID 110624664) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
PubChem CID110624664
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
SMILESCc1cc(NC(=O)C2CCCN2C(=O)CC(c2ccc(C)c(C)c2)C2CC2)no1
InChIInChI=1S/C23H29N3O3/c1-14-6-7-18(11-15(14)2)19(17-8-9-17)13-22(27)26-10-4-5-20(26)23(28)24-21-12-16(3)29-25-21/h6-7,11-12,17,19-20H,4-5,8-10,13H2,1-3H3,(H,24,25,28)
InChIKeyHYHVTGIRLXEMBO-UHFFFAOYSA-N
XLogP4.11
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-[3-(4-methoxyphenyl)butanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304942
1-(2-cyclopropylpropanoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110624691
(2S)-1-[2-cyclopropyl-2-(4-fluorophenyl)acetyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110353842
1-acetyl-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170916
1-(cyclopropanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170919
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-[4-(4-methylphenyl)butanoyl]pyrrolidine-2-carboxamide
CID 110304947
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(5-phenylpentanoyl)pyrrolidine-2-carboxamide
CID 110304954
1-(cyclohexanecarbonyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170922
(2S)-1-[5-(4-fluorophenyl)pentanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 110304952
3-cyclopropyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-3-(4-methylphenyl)propanamide
CID 110426976
1-(2-methoxybenzoyl)-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide
CID 74170933
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(4-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284824

Frequently Asked Questions

What is the IUPAC name of 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide (CID 110624664) is 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is Cc1cc(NC(=O)C2CCCN2C(=O)CC(c2ccc(C)c(C)c2)C2CC2)no1.
What is the InChIKey of 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
The InChIKey is HYHVTGIRLXEMBO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-14-6-7-18(11-15(14)2)19(17-8-9-17)13-22(27)26-10-4-5-20(26)23(28)24-21-12-16(3)29-25-21/h6-7,11-12,17,19-20H,4-5,8-10,13H2,1-3H3,(H,24,25,28).
What are the key properties of 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide?
1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide has a molecular weight of 395.50 g/mol, XLogP of 4.11, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-cyclopropyl-3-(3,4-dimethylphenyl)propanoyl]-N-(5-methyl-1,2-oxazol-3-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 110624664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).