N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

C13H13ClN2O3 — CID 99834698

IUPACN-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cc(C)no1
InChIInChI=1S/C13H13ClN2O3/c1-8-6-12(19-16-8)13(17)15-7-9-10(14)4-3-5-11(9)18-2/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyKTSXJFYPKVDBLC-UHFFFAOYSA-N
MW280.71 g/mol
LogP2.58
Rot. Bonds4

About N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide

N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (PubChem CID 99834698) has the molecular formula C13H13ClN2O3 and a molecular weight of 280.71 g/mol. Its IUPAC name is N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
PubChem CID99834698
Molecular FormulaC13H13ClN2O3
Molecular Weight280.71 g/mol
Exact Mass280.06
IUPAC NameN-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(Cl)c1CNC(=O)c1cc(C)no1
InChIInChI=1S/C13H13ClN2O3/c1-8-6-12(19-16-8)13(17)15-7-9-10(14)4-3-5-11(9)18-2/h3-6H,7H2,1-2H3,(H,15,17)
InChIKeyKTSXJFYPKVDBLC-UHFFFAOYSA-N
XLogP2.58
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.71
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chloro-6-methoxyphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 99834666
methyl N-[(2-chloro-6-methoxyphenyl)methyl]carbamate
CID 103292136
N-[(2-chloro-6-methoxyphenyl)methyl]-4-hydroxy-3-methylbenzamide
CID 103528255
N-[[3-(chloromethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 113272765
N-[(2S)-3-(2,3-dichlorophenoxy)-2-hydroxypropyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 94797026
N-[(2-chloro-6-methoxyphenyl)methyl]-3-sulfanylbenzamide
CID 107037038
N-[(2-chloro-6-methoxyphenyl)methyl]-3-iodobenzamide
CID 103292680
4-chloro-N-[(2-chloro-6-methoxyphenyl)methyl]-2-hydroxybenzamide
CID 103292717
4-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 103293340
2-amino-N-[(2-chloro-6-methoxyphenyl)methyl]pyridine-4-carboxamide
CID 103293349
N-[(2-chloro-6-methoxyphenyl)methyl]-2-fluoro-5-sulfanylbenzamide
CID 107037030
N-[[3-(hydroxymethyl)phenyl]methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 63311080

Frequently Asked Questions

What is the IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide (CID 99834698) is N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is COc1cccc(Cl)c1CNC(=O)c1cc(C)no1.
What is the InChIKey of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
The InChIKey is KTSXJFYPKVDBLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O3/c1-8-6-12(19-16-8)13(17)15-7-9-10(14)4-3-5-11(9)18-2/h3-6H,7H2,1-2H3,(H,15,17).
What are the key properties of N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide?
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide has a molecular weight of 280.71 g/mol, XLogP of 2.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 99834698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).