N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

C12H12N2O3 — CID 110693720

IUPACN-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccon2)cc1
InChIInChI=1S/C12H12N2O3/c1-16-10-4-2-9(3-5-10)8-13-12(15)11-6-7-17-14-11/h2-7H,8H2,1H3,(H,13,15)
InChIKeyMKWSTMVSCZRCKV-UHFFFAOYSA-N
MW232.24 g/mol
LogP1.61
Rot. Bonds4

About N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide

N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (PubChem CID 110693720) has the molecular formula C12H12N2O3 and a molecular weight of 232.24 g/mol. Its IUPAC name is N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
PubChem CID110693720
Molecular FormulaC12H12N2O3
Molecular Weight232.24 g/mol
Exact Mass232.08
IUPAC NameN-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CNC(=O)c2ccon2)cc1
InChIInChI=1S/C12H12N2O3/c1-16-10-4-2-9(3-5-10)8-13-12(15)11-6-7-17-14-11/h2-7H,8H2,1H3,(H,13,15)
InChIKeyMKWSTMVSCZRCKV-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-[(4-phenoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 60618920
N-[(4-methoxyphenyl)methyl]-4-methylpyridine-2-carboxamide
CID 110851612
N-[(4-methoxyphenyl)methyl]-4-methyl-1,2,5-oxadiazole-3-carboxamide
CID 110691868
N-[[4-(N'-hydroxycarbamimidoyl)phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 76939190
4-chloro-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 7802633
2-N-[(4-methoxyphenyl)methyl]-6-N-(pyridin-4-ylmethyl)pyridine-2,6-dicarboxamide
CID 109098007
N-[(2-methyl-4-pyridinyl)methyl]-1,2-oxazole-3-carboxamide
CID 144967801
N-[(4-methoxyphenyl)methyl]-5-[(4-methoxyphenyl)methylamino]pyridine-2-carboxamide
CID 109190354
5-amino-N-[(4-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 81320128
N-[(4-methoxyphenyl)methyl]-2-piperidin-1-ylpyrimidine-4-carboxamide
CID 109298248
N-[(4-methoxyphenyl)methyl]imidazo[2,1-b][1,3,4]thiadiazole-6-carboxamide
CID 110851657
N-[(4-methoxyphenyl)methyl]-1,2-oxazol-3-amine
CID 82671591

Frequently Asked Questions

What is the IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide (CID 110693720) is N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CNC(=O)c2ccon2)cc1.
What is the InChIKey of N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is MKWSTMVSCZRCKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O3/c1-16-10-4-2-9(3-5-10)8-13-12(15)11-6-7-17-14-11/h2-7H,8H2,1H3,(H,13,15).
What are the key properties of N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide?
N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-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-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110693720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).