1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide

C21H27N3O4 — CID 110632565

IUPAC1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1CN(c2ccccc2)C(=O)O1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C21H27N3O4/c25-19-11-15(13-23(19)16-7-3-1-4-8-16)20(26)22-12-18-14-24(21(27)28-18)17-9-5-2-6-10-17/h2,5-6,9-10,15-16,18H,1,3-4,7-8,11-14H2,(H,22,26)
InChIKeyXPCGFHUPLWOFFE-UHFFFAOYSA-N
MW385.46 g/mol
LogP2.31
Rot. Bonds5

About 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide

1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide (PubChem CID 110632565) has the molecular formula C21H27N3O4 and a molecular weight of 385.46 g/mol. Its IUPAC name is 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide.

Molecular Properties

Compound Name1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide
PubChem CID110632565
Molecular FormulaC21H27N3O4
Molecular Weight385.46 g/mol
Exact Mass385.20
IUPAC Name1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide
SMILESO=C(NCC1CN(c2ccccc2)C(=O)O1)C1CC(=O)N(C2CCCCC2)C1
InChIInChI=1S/C21H27N3O4/c25-19-11-15(13-23(19)16-7-3-1-4-8-16)20(26)22-12-18-14-24(21(27)28-18)17-9-5-2-6-10-17/h2,5-6,9-10,15-16,18H,1,3-4,7-8,11-14H2,(H,22,26)
InChIKeyXPCGFHUPLWOFFE-UHFFFAOYSA-N
XLogP2.31
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)ethyl]cyclopentanecarboxamide
CID 110717037
1-cyclohexyl-N-(cyclopentylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 110627517
1-cyclohexyl-5-oxo-N-(2-phenyl-2-piperidin-1-ylethyl)pyrrolidine-3-carboxamide
CID 110605730
1-cyclopentyl-N-(cyclopropylmethyl)-5-oxopyrrolidine-3-carboxamide
CID 47021846
N-benzyl-1-cyclobutyl-5-oxopyrrolidine-3-carboxamide
CID 110687464
(3S)-1-cyclohexyl-5-oxo-N-phenylpyrrolidine-3-carboxamide
CID 2266114
N-(2-benzamidoethyl)-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 46539812
(3S)-N-[[(3S)-1-(3-bromophenyl)pyrrolidin-3-yl]methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 98798412
(3S)-N-[(2-chlorophenyl)methyl]-1-cyclopentyl-5-oxopyrrolidine-3-carboxamide
CID 9364760
1-cyclohexyl-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 17257395
N-benzhydryl-1-cyclohexyl-5-oxopyrrolidine-3-carboxamide
CID 17257415
ethyl 2-oxo-2-[[(5R)-2-oxo-3-phenyl-1,3-oxazolidin-5-yl]methylamino]acetate
CID 40923689

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide?
The IUPAC name of 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide (CID 110632565) is 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide.
What is the SMILES notation for 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide?
The canonical SMILES for 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide is O=C(NCC1CN(c2ccccc2)C(=O)O1)C1CC(=O)N(C2CCCCC2)C1.
What is the InChIKey of 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide?
The InChIKey is XPCGFHUPLWOFFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4/c25-19-11-15(13-23(19)16-7-3-1-4-8-16)20(26)22-12-18-14-24(21(27)28-18)17-9-5-2-6-10-17/h2,5-6,9-10,15-16,18H,1,3-4,7-8,11-14H2,(H,22,26).
What are the key properties of 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide?
1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide has a molecular weight of 385.46 g/mol, XLogP of 2.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-oxo-N-[(2-oxo-3-phenyl-1,3-oxazolidin-5-yl)methyl]pyrrolidine-3-carboxamide is sourced from PubChem (CID 110632565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).