3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide

C15H16Cl2N2O2 — CID 72893992

IUPAC3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide
SMILESCCc1cc(CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)on1
InChIInChI=1S/C15H16Cl2N2O2/c1-4-11-7-12(21-18-11)8-19(3)15(20)10-5-13(16)9(2)14(17)6-10/h5-7H,4,8H2,1-3H3
InChIKeyXJLZMTWIEVQZBE-UHFFFAOYSA-N
MW327.21 g/mol
LogP4.12
Rot. Bonds4

About 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide

3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide (PubChem CID 72893992) has the molecular formula C15H16Cl2N2O2 and a molecular weight of 327.21 g/mol. Its IUPAC name is 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide
PubChem CID72893992
Molecular FormulaC15H16Cl2N2O2
Molecular Weight327.21 g/mol
Exact Mass326.06
IUPAC Name3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide
SMILESCCc1cc(CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)on1
InChIInChI=1S/C15H16Cl2N2O2/c1-4-11-7-12(21-18-11)8-19(3)15(20)10-5-13(16)9(2)14(17)6-10/h5-7H,4,8H2,1-3H3
InChIKeyXJLZMTWIEVQZBE-UHFFFAOYSA-N
XLogP4.12
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.21
LogP ≤ 54.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-2-methylpropanamide
CID 1484363
N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}acetamide
CID 1484414
N-((3-(2-chlorophenyl)isoxazol-5-yl)methyl)-N-methylpiperidine-4-carboxamide
CID 44580251
1-{[5-(3-Chlorophenyl)isoxazol-3-yl]carbonyl}-4-methylpiperazine
CID 3240862
(4-Chloro-2-methylphenyl){1-[(3-isopropyl-5-isoxazolyl)carbonyl]-3-piperidinyl}methanone
CID 16189842
5-[1-(2-Chloro-6-fluorobenzoyl)pyrrolidin-2-YL]-3-ethyl-1,2-oxazole
CID 50809067
N-{[3-(4-chlorophenyl)-5-isoxazolyl]methyl}-2-(diethylamino)acetamide
CID 1477192
2,4-dichloro-N-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]benzamide
CID 38880970
5-[1-(2-Chloro-6-fluorobenzoyl)pyrrolidin-2-YL]-3-(propan-2-YL)-1,2-oxazole
CID 46366301
2-(2-Chloro-4-fluorophenyl)-1-{2-[3-(propan-2-YL)-1,2-oxazol-5-YL]pyrrolidin-1-YL}ethan-1-one
CID 47000861
2-(2-Chloro-6-fluorophenyl)-1-[2-(3-ethyl-1,2-oxazol-5-YL)pyrrolidin-1-YL]ethan-1-one
CID 47001365
2-(2-Chloro-6-fluorophenyl)-1-{2-[3-(propan-2-YL)-1,2-oxazol-5-YL]pyrrolidin-1-YL}ethan-1-one
CID 47001494

Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide?
The IUPAC name of 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide (CID 72893992) is 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide.
What is the SMILES notation for 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide?
The canonical SMILES for 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide is CCc1cc(CN(C)C(=O)c2cc(Cl)c(C)c(Cl)c2)on1.
What is the InChIKey of 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide?
The InChIKey is XJLZMTWIEVQZBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16Cl2N2O2/c1-4-11-7-12(21-18-11)8-19(3)15(20)10-5-13(16)9(2)14(17)6-10/h5-7H,4,8H2,1-3H3.
What are the key properties of 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide?
3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide has a molecular weight of 327.21 g/mol, XLogP of 4.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dichloro-N-[(3-ethyl-1,2-oxazol-5-yl)methyl]-N,4-dimethylbenzamide is sourced from PubChem (CID 72893992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).