N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

C17H20ClN3O2 — CID 47001152

IUPACN-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2ccc(C)cc2Cl)on1
InChIInChI=1S/C17H20ClN3O2/c1-3-12-10-16(23-20-12)15-5-4-8-21(15)17(22)19-14-7-6-11(2)9-13(14)18/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyXIGIETCHIDYFCP-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.57
Rot. Bonds3

About N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide

N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (PubChem CID 47001152) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
PubChem CID47001152
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
SMILESCCc1cc(C2CCCN2C(=O)Nc2ccc(C)cc2Cl)on1
InChIInChI=1S/C17H20ClN3O2/c1-3-12-10-16(23-20-12)15-5-4-8-21(15)17(22)19-14-7-6-11(2)9-13(14)18/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,19,22)
InChIKeyXIGIETCHIDYFCP-UHFFFAOYSA-N
XLogP4.57
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 ≤ 54.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dimethylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001543
N-(2-chlorophenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 53096422
(2R)-2-(3-ethyl-1,2-oxazol-5-yl)-N-(4-ethylphenyl)pyrrolidine-1-carboxamide
CID 95079867
(2S)-2-(3-ethyl-1,2-oxazol-5-yl)-N-[2-(trifluoromethyl)phenyl]pyrrolidine-1-carboxamide
CID 95079971
(2S)-N-(2,5-dimethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94138869
(2S)-N-(2-chloro-4-methylphenyl)-2-thiophen-2-ylpyrrolidine-1-carboxamide
CID 92500015
(2S)-N-(2-ethylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139767
N-cyclohexyl-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 47001949
ethyl 2-[[(2R)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carbonyl]amino]acetate
CID 93070433
(2S)-N-(2-methoxy-5-methylphenyl)-2-(3-methyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 94139300
(2R)-N-(2,5-dimethylphenyl)-2-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide
CID 95079891
(2S)-N-(2,4-dichlorophenyl)-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidine-1-carboxamide
CID 7347789

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The IUPAC name of N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide (CID 47001152) is N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is CCc1cc(C2CCCN2C(=O)Nc2ccc(C)cc2Cl)on1.
What is the InChIKey of N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
The InChIKey is XIGIETCHIDYFCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-3-12-10-16(23-20-12)15-5-4-8-21(15)17(22)19-14-7-6-11(2)9-13(14)18/h6-7,9-10,15H,3-5,8H2,1-2H3,(H,19,22).
What are the key properties of N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide?
N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 4.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-methylphenyl)-2-(3-ethyl-1,2-oxazol-5-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 47001152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).