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

C12H11ClN2O4 — CID 96596464

IUPACN-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnco2)c(OC)cc1Cl
InChIInChI=1S/C12H11ClN2O4/c1-17-9-4-8(10(18-2)3-7(9)13)15-12(16)11-5-14-6-19-11/h3-6H,1-2H3,(H,15,16)
InChIKeyUNVRQJIJMGMNIO-UHFFFAOYSA-N
MW282.68 g/mol
LogP2.60
Rot. Bonds4

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

N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide (PubChem CID 96596464) has the molecular formula C12H11ClN2O4 and a molecular weight of 282.68 g/mol. Its IUPAC name is N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
PubChem CID96596464
Molecular FormulaC12H11ClN2O4
Molecular Weight282.68 g/mol
Exact Mass282.04
IUPAC NameN-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide
SMILESCOc1cc(NC(=O)c2cnco2)c(OC)cc1Cl
InChIInChI=1S/C12H11ClN2O4/c1-17-9-4-8(10(18-2)3-7(9)13)15-12(16)11-5-14-6-19-11/h3-6H,1-2H3,(H,15,16)
InChIKeyUNVRQJIJMGMNIO-UHFFFAOYSA-N
XLogP2.60
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.68
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-chloro-2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 8003045
6-chloro-N-(4-chloro-2,5-dimethoxyphenyl)pyrazine-2-carboxamide
CID 103336862
5-acetamido-N-(4-chloro-2,5-dimethoxyphenyl)furan-2-carboxamide
CID 110699998
N-(4-chloro-2,5-dimethoxyphenyl)-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110692030
4-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-methylpyrazole-5-carboxamide
CID 2164180
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-benzoxazole-6-carboxamide
CID 110765168
N-(4-chloro-2,5-dimethoxyphenyl)-5-(2,3-dichlorophenyl)furan-2-carboxamide
CID 1277633
N-(4-chloro-2,5-dimethoxyphenyl)-3,5-dimethylbenzamide
CID 918553
N-(4-chloro-2,5-dimethoxyphenyl)-6-methylpyridine-3-carboxamide
CID 18149046
N-(4-chloro-2,5-dimethoxyphenyl)-4,5-dimethyl-1,2-oxazole-3-carboxamide
CID 110864454
5-chloro-N-(4-chloro-2,5-dimethoxyphenyl)-1-benzofuran-2-carboxamide
CID 19240981
N-(4-chloro-2,5-dimethoxyphenyl)prop-2-enamide
CID 43616303

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide?
The IUPAC name of N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide (CID 96596464) is N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide is COc1cc(NC(=O)c2cnco2)c(OC)cc1Cl.
What is the InChIKey of N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide?
The InChIKey is UNVRQJIJMGMNIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O4/c1-17-9-4-8(10(18-2)3-7(9)13)15-12(16)11-5-14-6-19-11/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide?
N-(4-chloro-2,5-dimethoxyphenyl)-1,3-oxazole-5-carboxamide has a molecular weight of 282.68 g/mol, XLogP of 2.60, 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)-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 96596464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).