N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C17H20ClN3O2 — CID 47001088

IUPACN-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1cc(C2CCCN2C(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C17H20ClN3O2/c1-11(2)16-10-14(20-23-16)15-4-3-9-21(15)17(22)19-13-7-5-12(18)6-8-13/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,19,22)
InChIKeyRYWATHAWTIZJDW-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.82
Rot. Bonds3

About N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 47001088) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID47001088
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESCC(C)c1cc(C2CCCN2C(=O)Nc2ccc(Cl)cc2)no1
InChIInChI=1S/C17H20ClN3O2/c1-11(2)16-10-14(20-23-16)15-4-3-9-21(15)17(22)19-13-7-5-12(18)6-8-13/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,19,22)
InChIKeyRYWATHAWTIZJDW-UHFFFAOYSA-N
XLogP4.82
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-N-phenyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070295
(2R)-N-(3-chloro-4-methylphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079619
(2S)-N-(4-nitrophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 95079719
N-(4-chlorophenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001411
N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 50946822
(2S)-N-(2,4-difluorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070350
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070319
(2R)-N-cyclohexyl-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
CID 93070287
[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-[(2R)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
CID 92893500
1-[(2S)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidin-1-yl]ethanone
CID 95051971
(2S)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894227
(2R)-N-(4-chlorophenyl)-2-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolidine-1-carboxamide
CID 92894228

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 47001088) is N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is CC(C)c1cc(C2CCCN2C(=O)Nc2ccc(Cl)cc2)no1.
What is the InChIKey of N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is RYWATHAWTIZJDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-11(2)16-10-14(20-23-16)15-4-3-9-21(15)17(22)19-13-7-5-12(18)6-8-13/h5-8,10-11,15H,3-4,9H2,1-2H3,(H,19,22).
What are the key properties of N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-(5-propan-2-yl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).