N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

C19H17ClN2O3 — CID 46232571

IUPACN-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(-c2noc(C)c2C(=O)N(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-17(19(23)22(2)15-9-7-14(20)8-10-15)18(21-25-12)13-5-4-6-16(11-13)24-3/h4-11H,1-3H3
InChIKeyCCCPDKSLSUVEBG-UHFFFAOYSA-N
MW356.81 g/mol
LogP4.59
Rot. Bonds4

About N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide

N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (PubChem CID 46232571) has the molecular formula C19H17ClN2O3 and a molecular weight of 356.81 g/mol. Its IUPAC name is N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
PubChem CID46232571
Molecular FormulaC19H17ClN2O3
Molecular Weight356.81 g/mol
Exact Mass356.09
IUPAC NameN-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
SMILESCOc1cccc(-c2noc(C)c2C(=O)N(C)c2ccc(Cl)cc2)c1
InChIInChI=1S/C19H17ClN2O3/c1-12-17(19(23)22(2)15-9-7-14(20)8-10-15)18(21-25-12)13-5-4-6-16(11-13)24-3/h4-11H,1-3H3
InChIKeyCCCPDKSLSUVEBG-UHFFFAOYSA-N
XLogP4.59
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.81
LogP ≤ 54.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-Chlorophenyl)-5-methylisoxazol-4-yl 4-(2-methoxyphenyl)piperazinyl ketone
CID 660070
[3-(2-Chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-[4-(2-ethoxyphenyl)piperazin-1-yl]methanone
CID 1011145
1-{[3-(2-Chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-4-phenylpiperazine
CID 1050462
3-(2-chlorophenyl)-5-methyl-N-[4-[2-(4-morpholinyl)-2-oxoethoxy]phenyl]-4-isoxazolecarboxamide
CID 1326689
N-(4-isopropoxyphenyl)-5-methyl-3-phenyl-4-isoxazolecarboxamide
CID 975586
3-(2,6-dichlorophenyl)-N-[4-(diethylamino)-2-methoxyphenyl]-5-methylisoxazole-4-carboxamide
CID 11568561
6-(4-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20304994
3-(4-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 20305061
6-(3-methoxyphenyl)-5-methyl-3-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 22137726
3-(3-methoxyphenyl)-5-methyl-6-phenylisoxazolo[4,5-c]pyridin-4(5H)-one
CID 23579328
[4-(3-Chlorophenyl)piperazin-1-yl]-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]methanone
CID 25162048
TGR5 Receptor Agonist
CID 44605616

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide (CID 46232571) is N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is COc1cccc(-c2noc(C)c2C(=O)N(C)c2ccc(Cl)cc2)c1.
What is the InChIKey of N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
The InChIKey is CCCPDKSLSUVEBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17ClN2O3/c1-12-17(19(23)22(2)15-9-7-14(20)8-10-15)18(21-25-12)13-5-4-6-16(11-13)24-3/h4-11H,1-3H3.
What are the key properties of N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide?
N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide has a molecular weight of 356.81 g/mol, XLogP of 4.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-3-(3-methoxyphenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 46232571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).