N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide

C12H11ClN2O3 — CID 71802436

IUPACN-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2ccccc2Cl)on1
InChIInChI=1S/C12H11ClN2O3/c1-17-11-6-10(18-15-11)12(16)14-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyHEDXIYJOEKUJPF-UHFFFAOYSA-N
MW266.68 g/mol
LogP2.27
Rot. Bonds4

About N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide

N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802436) has the molecular formula C12H11ClN2O3 and a molecular weight of 266.68 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
PubChem CID71802436
Molecular FormulaC12H11ClN2O3
Molecular Weight266.68 g/mol
Exact Mass266.05
IUPAC NameN-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide
SMILESCOc1cc(C(=O)NCc2ccccc2Cl)on1
InChIInChI=1S/C12H11ClN2O3/c1-17-11-6-10(18-15-11)12(16)14-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3,(H,14,16)
InChIKeyHEDXIYJOEKUJPF-UHFFFAOYSA-N
XLogP2.27
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.68
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-chlorophenyl)methyl]-6-methoxypyridine-2-carboxamide
CID 110851400
2-[(3-methoxy-1,2-oxazole-5-carbonyl)amino]acetic acid
CID 120513531
N-[(2-chlorophenyl)methyl]-3,5-dimethoxybenzamide
CID 881091
N-[(2-hydroxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 115598819
N-[(2-chlorophenyl)methyl]-3-methoxybenzamide
CID 790117
N-[(2-chloro-6-methoxyphenyl)methyl]-3-methyl-1,2-oxazole-5-carboxamide
CID 99834698
N-[(2-chlorophenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691865
N-[(2-chlorophenyl)methyl]-5-(2-methoxyphenyl)-3-methyl-1,2-oxazole-4-carboxamide
CID 46096874
N'-[(2-chlorophenyl)methyl]-N-(2-methoxyethyl)oxamide
CID 44996627
N-[(2-chlorophenyl)methyl]-4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 78781700
1-[(2-chlorophenyl)methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 38157251
N-[(3-chloro-6-methoxypyridazin-4-yl)methyl]benzamide
CID 101265418

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide (CID 71802436) is N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide is COc1cc(C(=O)NCc2ccccc2Cl)on1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
The InChIKey is HEDXIYJOEKUJPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN2O3/c1-17-11-6-10(18-15-11)12(16)14-7-8-4-2-3-5-9(8)13/h2-6H,7H2,1H3,(H,14,16).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide?
N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide has a molecular weight of 266.68 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-methoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802436), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).