N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

C17H20ClN3O2 — CID 24979285

IUPACN-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C17H20ClN3O2/c1-3-13-16(11(2)23-20-13)17(22)19-14-10-12(18)6-7-15(14)21-8-4-5-9-21/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyPTFXINTUZNMTTN-UHFFFAOYSA-N
MW333.82 g/mol
LogP4.05
Rot. Bonds4

About N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide

N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (PubChem CID 24979285) has the molecular formula C17H20ClN3O2 and a molecular weight of 333.82 g/mol. Its IUPAC name is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
PubChem CID24979285
Molecular FormulaC17H20ClN3O2
Molecular Weight333.82 g/mol
Exact Mass333.12
IUPAC NameN-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
SMILESCCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCCC1
InChIInChI=1S/C17H20ClN3O2/c1-3-13-16(11(2)23-20-13)17(22)19-14-10-12(18)6-7-15(14)21-8-4-5-9-21/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,22)
InChIKeyPTFXINTUZNMTTN-UHFFFAOYSA-N
XLogP4.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.82
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5-chloro-2-morpholin-4-ylphenyl)-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4800687
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9268164
3,5-dimethyl-N-(2-pyrrolidin-1-ylphenyl)-1,2-oxazole-4-carboxamide
CID 18190087
5-amino-N-(3-chloro-4-fluorophenyl)-3-ethylisoxazole-4-carboxamide
CID 715872
3,5-dimethyl-N-[4-[3-(2-methylpyrrolidin-1-yl)pyrrolidin-1-yl]phenyl]-1,2-oxazole-4-carboxamide
CID 25265092
N-(3-Chlorophenyl)-N-((8-fluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 42618052
N-(3-Chlorophenyl)-N-((7,8-difluoro-2-oxo-1,2-dihydroquinolin-4-yl)methyl)-3,5-dimethylisoxazole-4-carboxamide
CID 42618069
N-[4-chloro-2-(trifluoromethyl)phenyl]-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247481
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
CID 4785961
N-(5-chloro-2-piperidin-1-ylphenyl)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]acetamide
CID 8897727
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]-N,3-diethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 25162253
5-amino-N-(4-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxamide
CID 718651

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide (CID 24979285) is N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is CCc1noc(C)c1C(=O)Nc1cc(Cl)ccc1N1CCCC1.
What is the InChIKey of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
The InChIKey is PTFXINTUZNMTTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O2/c1-3-13-16(11(2)23-20-13)17(22)19-14-10-12(18)6-7-15(14)21-8-4-5-9-21/h6-7,10H,3-5,8-9H2,1-2H3,(H,19,22).
What are the key properties of N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide?
N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide has a molecular weight of 333.82 g/mol, XLogP of 4.05, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyrrolidin-1-ylphenyl)-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 24979285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).