N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

C20H20N4O4 — CID 97272771

IUPACN,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@H](c2ccccc2)CC1=O)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C20H20N4O4/c25-19-6-16(15-4-2-1-3-5-15)7-23(19)10-20(26)24(8-17-11-27-13-21-17)9-18-12-28-14-22-18/h1-5,11-14,16H,6-10H2/t16-/m1/s1
InChIKeyGUWLLSXYPJAPDU-MRXNPFEDSA-N
MW380.40 g/mol
LogP2.21
Rot. Bonds7

About N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide

N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (PubChem CID 97272771) has the molecular formula C20H20N4O4 and a molecular weight of 380.40 g/mol. Its IUPAC name is N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
PubChem CID97272771
Molecular FormulaC20H20N4O4
Molecular Weight380.40 g/mol
Exact Mass380.15
IUPAC NameN,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
SMILESO=C(CN1C[C@H](c2ccccc2)CC1=O)N(Cc1cocn1)Cc1cocn1
InChIInChI=1S/C20H20N4O4/c25-19-6-16(15-4-2-1-3-5-15)7-23(19)10-20(26)24(8-17-11-27-13-21-17)9-18-12-28-14-22-18/h1-5,11-14,16H,6-10H2/t16-/m1/s1
InChIKeyGUWLLSXYPJAPDU-MRXNPFEDSA-N
XLogP2.21
TPSA92.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 781884
2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide;hydrochloride
CID 170974229
N-[(2-ethoxyphenyl)methyl]-N-methyl-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97272526
N-(2-hydroxyethyl)-N-[(2-methyl-1H-imidazol-5-yl)methyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 135089392
N-methyl-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]-N-[(1-propan-2-ylpyrazol-4-yl)methyl]acetamide
CID 97436407
2-[[2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetyl]amino]acetamide
CID 7038489
N-[1-(hydroxymethyl)cyclopentyl]-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 72841984
N-[1-(hydroxymethyl)cyclopentyl]-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 97434100
(4R)-4-phenyl-1-(1,3-thiazol-4-ylmethyl)pyrrolidin-2-one
CID 97282055
N-(2-methylphenyl)-2-[(4R)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide
CID 851505
N-(4-fluorophenyl)-2-(2-oxo-4-phenylpyrrolidin-1-yl)acetamide
CID 5307809
4-phenyl-1-propylpyrrolidin-2-one
CID 13362249

Frequently Asked Questions

What is the IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The IUPAC name of N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide (CID 97272771) is N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide.
What is the SMILES notation for N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The canonical SMILES for N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is O=C(CN1C[C@H](c2ccccc2)CC1=O)N(Cc1cocn1)Cc1cocn1.
What is the InChIKey of N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
The InChIKey is GUWLLSXYPJAPDU-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H20N4O4/c25-19-6-16(15-4-2-1-3-5-15)7-23(19)10-20(26)24(8-17-11-27-13-21-17)9-18-12-28-14-22-18/h1-5,11-14,16H,6-10H2/t16-/m1/s1.
What are the key properties of N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide?
N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide has a molecular weight of 380.40 g/mol, XLogP of 2.21, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(1,3-oxazol-4-ylmethyl)-2-[(4S)-2-oxo-4-phenylpyrrolidin-1-yl]acetamide is sourced from PubChem (CID 97272771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).