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

C12H12N2O3 — CID 110693577

IUPACN-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccno1
InChIInChI=1S/C12H12N2O3/c1-16-10-5-3-2-4-9(10)8-13-12(15)11-6-7-14-17-11/h2-7H,8H2,1H3,(H,13,15)
InChIKeyOEQJCISCTSZHHJ-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.61
Rot. Bonds4

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

N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide (PubChem CID 110693577) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
PubChem CID110693577
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide
SMILESCOc1ccccc1CNC(=O)c1ccno1
InChIInChI=1S/C12H12N2O3/c1-16-10-5-3-2-4-9(10)8-13-12(15)11-6-7-14-17-11/h2-7H,8H2,1H3,(H,13,15)
InChIKeyOEQJCISCTSZHHJ-UHFFFAOYSA-N
XLogP1.61
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.24
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2-bromophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 61413770
5-chloro-N-[(2-methoxyphenyl)methyl]furan-2-carboxamide
CID 32739421
N-[2-[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.4]octan-8-yl]ethyl]-1,2-oxazole-5-carboxamide
CID 133137467
2-(4-fluorophenyl)-N-[(2-methoxyphenyl)methyl]acetamide
CID 808183
N-[(2-methoxyphenyl)methyl]-2-phenyl-1,3-oxazole-5-carboxamide
CID 110681416
N-[(2,4-difluorophenyl)methyl]-1,2-oxazole-5-carboxamide
CID 155823207
N-[(4-fluorophenyl)methyl]-N'-[(2-methoxyphenyl)methyl]oxamide
CID 44996870
N-[[2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 131661153
N-[[(7R)-2-[(2-methoxyphenyl)methyl]-5-oxa-2-azaspiro[3.5]nonan-7-yl]methyl]-1,2-oxazole-5-carboxamide
CID 124820874
N-[(2-methoxyphenyl)methyl]pyrimidine-5-carboxamide
CID 110466860
N-[(2-methoxyphenyl)methyl]-2-(3,4,5-trimethoxyphenyl)acetamide
CID 2713308
2,4,5-trimethoxy-N-[(2-methoxyphenyl)methyl]benzamide
CID 912738

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide (CID 110693577) is N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide is COc1ccccc1CNC(=O)c1ccno1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide?
The InChIKey is OEQJCISCTSZHHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-10-5-3-2-4-9(10)8-13-12(15)11-6-7-14-17-11/h2-7H,8H2,1H3,(H,13,15).
What are the key properties of N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide?
N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide has a molecular weight of 232.24 g/mol, XLogP of 1.61, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110693577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).