2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide

C24H27N3O2 — CID 124839054

IUPAC2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
SMILESCc1cc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C24H27N3O2/c1-17-15-22(26-29-17)23-9-6-14-27(23)16-24(28)25-18(2)19-10-12-21(13-11-19)20-7-4-3-5-8-20/h3-5,7-8,10-13,15,18,23H,6,9,14,16H2,1-2H3,(H,25,28)/t18-,23+/m1/s1
InChIKeyRUKOQHOSZDZYOS-JPYJTQIMSA-N
MW389.50 g/mol
LogP4.66
Rot. Bonds6

About 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide

2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide (PubChem CID 124839054) has the molecular formula C24H27N3O2 and a molecular weight of 389.50 g/mol. Its IUPAC name is 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
PubChem CID124839054
Molecular FormulaC24H27N3O2
Molecular Weight389.50 g/mol
Exact Mass389.21
IUPAC Name2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
SMILESCc1cc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1
InChIInChI=1S/C24H27N3O2/c1-17-15-22(26-29-17)23-9-6-14-27(23)16-24(28)25-18(2)19-10-12-21(13-11-19)20-7-4-3-5-8-20/h3-5,7-8,10-13,15,18,23H,6,9,14,16H2,1-2H3,(H,25,28)/t18-,23+/m1/s1
InChIKeyRUKOQHOSZDZYOS-JPYJTQIMSA-N
XLogP4.66
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(furan-2-yl)ethyl]-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 95288889
(1R)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-1-phenylethanol
CID 94000959
2-[(2S)-2-(4-methoxyphenyl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 98482252
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 9033490
2-[(2S)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9033481
2-[(2S)-2-phenylpyrrolidin-1-yl]-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]acetamide
CID 124739814
2-[(2S)-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)pyrrolidin-1-yl]-N-[(1S)-1-phenylethyl]acetamide
CID 9434707
2-[[(2R)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methyl]phenol
CID 92732581
N-(3,4-difluorophenyl)-2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]acetamide
CID 35244187
2-(4-acetylpiperazin-1-yl)-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide
CID 40813283
2-[(2S)-2-(6-methyl-1H-benzimidazol-2-yl)pyrrolidin-1-yl]-N-[(1R)-1-phenylethyl]acetamide
CID 124730634
2-[4-[(2S)-oxolane-2-carbonyl]piperazin-1-yl]-N-[(1S)-1-(4-phenylphenyl)ethyl]acetamide
CID 40642009

Frequently Asked Questions

What is the IUPAC name of 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
The IUPAC name of 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide (CID 124839054) is 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
The canonical SMILES for 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide is Cc1cc([C@@H]2CCCN2CC(=O)N[C@H](C)c2ccc(-c3ccccc3)cc2)no1.
What is the InChIKey of 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
The InChIKey is RUKOQHOSZDZYOS-JPYJTQIMSA-N. The full InChI is InChI=1S/C24H27N3O2/c1-17-15-22(26-29-17)23-9-6-14-27(23)16-24(28)25-18(2)19-10-12-21(13-11-19)20-7-4-3-5-8-20/h3-5,7-8,10-13,15,18,23H,6,9,14,16H2,1-2H3,(H,25,28)/t18-,23+/m1/s1.
What are the key properties of 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide?
2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S)-2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]-N-[(1R)-1-(4-phenylphenyl)ethyl]acetamide is sourced from PubChem (CID 124839054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).