1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

C23H24N4O4 — CID 42822388

IUPAC1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N3CCCC3C(=O)NCCc3ccccn3)no2)c1
InChIInChI=1S/C23H24N4O4/c1-30-18-8-4-6-16(14-18)21-15-19(26-31-21)23(29)27-13-5-9-20(27)22(28)25-12-10-17-7-2-3-11-24-17/h2-4,6-8,11,14-15,20H,5,9-10,12-13H2,1H3,(H,25,28)
InChIKeySTIPTUXBYCNCMD-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.71
Rot. Bonds7

About 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide

1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (PubChem CID 42822388) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
PubChem CID42822388
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide
SMILESCOc1cccc(-c2cc(C(=O)N3CCCC3C(=O)NCCc3ccccn3)no2)c1
InChIInChI=1S/C23H24N4O4/c1-30-18-8-4-6-16(14-18)21-15-19(26-31-21)23(29)27-13-5-9-20(27)22(28)25-12-10-17-7-2-3-11-24-17/h2-4,6-8,11,14-15,20H,5,9-10,12-13H2,1H3,(H,25,28)
InChIKeySTIPTUXBYCNCMD-UHFFFAOYSA-N
XLogP2.71
TPSA97.56 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-1-[5-(3,4-dimethylphenyl)-1,2-oxazole-3-carbonyl]-N-(pyridin-2-ylmethyl)piperidine-2-carboxamide
CID 93140596
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-[2-(4-methoxyphenyl)pyrrolidin-1-yl]methanone
CID 146230052
(2S)-N-(2-methoxyethyl)-1-[5-(4-methylphenyl)-1,2-oxazole-3-carbonyl]piperidine-2-carboxamide
CID 94360991
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]-pyrrolidin-1-ylmethanone
CID 22427421
(2S)-N-phenyl-1-(5-phenyl-1,2-oxazole-3-carbonyl)pyrrolidine-2-carboxamide
CID 30855025
1-[2-(4-methoxyanilino)-1,3-thiazole-4-carbonyl]-N-(pyridin-2-ylmethyl)pyrrolidine-2-carboxamide
CID 42813255
5-(3-methoxyphenyl)-N-[(2R)-1-oxo-1-(pyridin-2-ylmethylamino)propan-2-yl]-1,2-oxazole-3-carboxamide
CID 93140787
[2-(2,4-dimethoxyphenyl)pyrrolidin-1-yl]-(5-phenyl-1,2-oxazol-3-yl)methanone
CID 42921796
1,1-diethyl-3-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]urea
CID 110314830
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-phenylacetamide
CID 110314800
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-phenoxypropanamide
CID 110314807
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]morpholine-4-carboxamide
CID 110314831

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide (CID 42822388) is 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is COc1cccc(-c2cc(C(=O)N3CCCC3C(=O)NCCc3ccccn3)no2)c1.
What is the InChIKey of 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
The InChIKey is STIPTUXBYCNCMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-30-18-8-4-6-16(14-18)21-15-19(26-31-21)23(29)27-13-5-9-20(27)22(28)25-12-10-17-7-2-3-11-24-17/h2-4,6-8,11,14-15,20H,5,9-10,12-13H2,1H3,(H,25,28).
What are the key properties of 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide?
1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.71, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-methoxyphenyl)-1,2-oxazole-3-carbonyl]-N-(2-pyridin-2-ylethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 42822388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).