(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

C17H21FN2O3 — CID 58746248

IUPAC(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2ccc(C3CCCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H21FN2O3/c1-19-16(21)15-10-20(17(22)23-15)12-7-8-13(14(18)9-12)11-5-3-2-4-6-11/h7-9,11,15H,2-6,10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyXFTCUYQZTVUULX-OAHLLOKOSA-N
MW320.36 g/mol
LogP2.94
Rot. Bonds3

About (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide

(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 58746248) has the molecular formula C17H21FN2O3 and a molecular weight of 320.36 g/mol. Its IUPAC name is (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID58746248
Molecular FormulaC17H21FN2O3
Molecular Weight320.36 g/mol
Exact Mass320.15
IUPAC Name(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESCNC(=O)[C@H]1CN(c2ccc(C3CCCCC3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H21FN2O3/c1-19-16(21)15-10-20(17(22)23-15)12-7-8-13(14(18)9-12)11-5-3-2-4-6-11/h7-9,11,15H,2-6,10H2,1H3,(H,19,21)/t15-/m1/s1
InChIKeyXFTCUYQZTVUULX-OAHLLOKOSA-N
XLogP2.94
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.36
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-3-[3-fluoro-4-(3-hydroxycyclobutyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxylic acid
CID 69176762
(5R)-3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide;(5R)-3-[3-fluoro-4-(4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 159385932
(5R)-3-(3,5-difluoro-4-morpholin-4-ylphenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10215354
methyl 3-[2,6-difluoro-4-[(5R)-5-(methylcarbamoyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]-3-methylazetidine-1-carboxylate
CID 10287278
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
(5R)-3-[4-(1-cyano-3,6-dihydro-2H-pyridin-4-yl)-3-fluorophenyl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 87470731
(5R)-3-[1-(2-fluoroethyl)-2-oxo-3H-indol-5-yl]-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58599566
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632
(5R)-3-(2,2-difluoro-4-methyl-3-oxo-1,4-benzoxazin-7-yl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide
CID 10308812
N-[[3-[3-fluoro-4-(oxazepan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70342294
N-[[3-[3-fluoro-4-[(2S)-thian-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 90913950
(5R)-3-[4-[(1R,5S)-3,3-dioxo-3λ6-thiabicyclo[3.1.0]hexan-6-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 58978127

Frequently Asked Questions

What is the IUPAC name of (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide (CID 58746248) is (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is CNC(=O)[C@H]1CN(c2ccc(C3CCCCC3)c(F)c2)C(=O)O1.
What is the InChIKey of (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is XFTCUYQZTVUULX-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21FN2O3/c1-19-16(21)15-10-20(17(22)23-15)12-7-8-13(14(18)9-12)11-5-3-2-4-6-11/h7-9,11,15H,2-6,10H2,1H3,(H,19,21)/t15-/m1/s1.
What are the key properties of (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide?
(5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 320.36 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-(4-cyclohexyl-3-fluorophenyl)-N-methyl-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 58746248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).