N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide

C12H11ClN2O3 — CID 110859594

IUPACN-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1oncc1C
InChIInChI=1S/C12H11ClN2O3/c1-7-6-14-18-11(7)12(16)15-9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyWGDBDGQAFLDRSC-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.90
Rot. Bonds3

About N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide

N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide (PubChem CID 110859594) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
PubChem CID110859594
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC NameN-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1oncc1C
InChIInChI=1S/C12H11ClN2O3/c1-7-6-14-18-11(7)12(16)15-9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3,(H,15,16)
InChIKeyWGDBDGQAFLDRSC-UHFFFAOYSA-N
XLogP2.90
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-2-[(4-methyl-1,2-oxazole-5-carbonyl)amino]benzoic acid
CID 66334329
N-(3,4-dimethoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110860667
5-chloro-N-(5-chloro-2-methoxyphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80625735
N-(5-chloro-2-methoxyphenyl)-3-methoxy-1,2-oxazole-5-carboxamide
CID 71802469
N-(5-chloro-2-methoxyphenyl)-2-methyl-1,3-oxazole-4-carboxamide
CID 30402806
N-(2-chlorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 110858747
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,3-thiazole-5-carboxamide
CID 47208307
N-(2-amino-5-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66334365
N-(5-chloro-2-methoxyphenyl)-4-(methylamino)pyridine-3-carboxamide
CID 81234108
N-(5-chloro-2-methoxyphenyl)-4-propan-2-yl-1,3-oxazole-5-carboxamide
CID 110685071
5-amino-N-(5-chloro-2-methoxyphenyl)pyridine-2-carboxamide
CID 81319684
N-(5-amino-2-fluorophenyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335719

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide (CID 110859594) is N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide is COc1ccc(Cl)cc1NC(=O)c1oncc1C.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is WGDBDGQAFLDRSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-7-6-14-18-11(7)12(16)15-9-5-8(13)3-4-10(9)17-2/h3-6H,1-2H3,(H,15,16).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide?
N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 266.68 g/mol, XLogP of 2.90, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110859594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).