N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide

C17H20ClN3O3 — CID 4785961

IUPACN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1c(C)noc1C
InChIInChI=1S/C17H20ClN3O3/c1-4-21(17(23)16-11(2)20-24-12(16)3)10-15(22)19-9-13-5-7-14(18)8-6-13/h5-8H,4,9-10H2,1-3H3,(H,19,22)
InChIKeyIBOJVFKWKQWTDL-UHFFFAOYSA-N
MW349.82 g/mol
LogP2.72
Rot. Bonds6

About N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide

N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 4785961) has the molecular formula C17H20ClN3O3 and a molecular weight of 349.82 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID4785961
Molecular FormulaC17H20ClN3O3
Molecular Weight349.82 g/mol
Exact Mass349.12
IUPAC NameN-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1c(C)noc1C
InChIInChI=1S/C17H20ClN3O3/c1-4-21(17(23)16-11(2)20-24-12(16)3)10-15(22)19-9-13-5-7-14(18)8-6-13/h5-8H,4,9-10H2,1-3H3,(H,19,22)
InChIKeyIBOJVFKWKQWTDL-UHFFFAOYSA-N
XLogP2.72
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.82
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-methylpiperazinyl ketone
CID 798832
5-(4-chlorophenyl)-N-[3-(diethylamino)propyl]-1,2-oxazole-3-carboxamide
CID 3243805
[3-(2-Chloro-phenyl)-5-methyl-isoxazol-4-yl]-piperidin-1-yl-methanone
CID 700029
3-(2-chlorophenyl)-N-cycloheptyl-5-methyl-1,2-oxazole-4-carboxamide
CID 707574
Azepan-1-yl-[3-(2-chloro-phenyl)-5-methyl-isoxazol-4-yl]-methanone
CID 717954
N-[2-(4-chlorophenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 1245472
N-(2-fluorobenzyl)-3,5-dimethyl-4-isoxazolecarboxamide
CID 1247514
N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-2-methylpropanamide
CID 1484363
3-(2-chloro-6-fluorophenyl)-N-cyclopropyl-5-methyl-1,2-oxazole-4-carboxamide
CID 2374581
4-[3-(2-Chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]piperazine-1-carbaldehyde
CID 3555310
N-[2-(4-chlorophenyl)ethyl]-3-ethyl-5-methyl-1,2-oxazole-4-carboxamide
CID 9268164
3-ethyl-5-methyl-N-(2-phenylethyl)-1,2-oxazole-4-carboxamide
CID 17174146

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide (CID 4785961) is N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is CCN(CC(=O)NCc1ccc(Cl)cc1)C(=O)c1c(C)noc1C.
What is the InChIKey of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is IBOJVFKWKQWTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20ClN3O3/c1-4-21(17(23)16-11(2)20-24-12(16)3)10-15(22)19-9-13-5-7-14(18)8-6-13/h5-8H,4,9-10H2,1-3H3,(H,19,22).
What are the key properties of N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide?
N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 349.82 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)methylamino]-2-oxoethyl]-N-ethyl-3,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 4785961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).