N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

C14H15ClN2O4 — CID 110864454

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2noc(C)c2C)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN2O4/c1-7-8(2)21-17-13(7)14(18)16-10-6-11(19-3)9(15)5-12(10)20-4/h5-6H,1-4H3,(H,16,18)
InChIKeySHSHWCDVSYWALL-UHFFFAOYSA-N
MW310.74 g/mol
LogP3.21
Rot. Bonds4

About N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide

N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (PubChem CID 110864454) has the molecular formula C14H15ClN2O4 and a molecular weight of 310.74 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
PubChem CID110864454
Molecular FormulaC14H15ClN2O4
Molecular Weight310.74 g/mol
Exact Mass310.07
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
SMILESCOc1cc(NC(=O)c2noc(C)c2C)c(OC)cc1Cl
InChIInChI=1S/C14H15ClN2O4/c1-7-8(2)21-17-13(7)14(18)16-10-6-11(19-3)9(15)5-12(10)20-4/h5-6H,1-4H3,(H,16,18)
InChIKeySHSHWCDVSYWALL-UHFFFAOYSA-N
XLogP3.21
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.74
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692030
N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 8003045
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(4-chloro-2,5-dimethoxyphenyl)-N'-(4-chloro-2-methoxy-5-methylphenyl)oxamide
CID 108532266
N-(5-chloro-2,4-dimethoxyphenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 1246987
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
CID 96596464
3-bromo-N-(4-chloro-2,5-dimethoxyphenyl)pyridine-2-carboxamide
CID 107517707
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 3404956
4-amino-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-3-carboxamide
CID 65355061
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(5-chloro-2,4-dimethoxyphenyl)-2,5-dimethylfuran-3-carboxamide
CID 17172995

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide (CID 110864454) is N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is COc1cc(NC(=O)c2noc(C)c2C)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
The InChIKey is SHSHWCDVSYWALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O4/c1-7-8(2)21-17-13(7)14(18)16-10-6-11(19-3)9(15)5-12(10)20-4/h5-6H,1-4H3,(H,16,18).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide has a molecular weight of 310.74 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110864454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).