N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide

C16H14N2O3S — CID 51305038

IUPACN-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H14N2O3S/c1-20-13-6-3-2-5-11(13)10-17-16(19)12-9-14(21-18-12)15-7-4-8-22-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeySQVIRLXJPOXKTJ-UHFFFAOYSA-N
MW314.37 g/mol
LogP3.34
Rot. Bonds5

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

N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 51305038) has the molecular formula C16H14N2O3S and a molecular weight of 314.37 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
PubChem CID51305038
Molecular FormulaC16H14N2O3S
Molecular Weight314.37 g/mol
Exact Mass314.07
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccccc1CNC(=O)c1cc(-c2cccs2)on1
InChIInChI=1S/C16H14N2O3S/c1-20-13-6-3-2-5-11(13)10-17-16(19)12-9-14(21-18-12)15-7-4-8-22-15/h2-9H,10H2,1H3,(H,17,19)
InChIKeySQVIRLXJPOXKTJ-UHFFFAOYSA-N
XLogP3.34
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.37
LogP ≤ 53.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 755236
2,3-dimethoxy-N-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]benzamide
CID 16867606
N-[2-(2-fluorophenyl)ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 33195789
5-(3,4-dimethoxyphenyl)-N-(thiophen-2-ylmethyl)-1,2-oxazole-3-carboxamide
CID 5308138
N-[2-(2-methoxyethylamino)-2-oxoethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 42821209
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170
N-[[4-(1-hydroxyethyl)phenyl]methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 71934309
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 134054677
N-[2-[3-(difluoromethoxy)-4-methoxyphenyl]ethyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 60618527
N-[(5-chloro-2-methoxyphenyl)methyl]-3-thiophen-2-yl-1,2,4-oxadiazole-5-carboxamide
CID 19589384
N-(2-hydroxy-3-methylbutyl)-5-thiophen-2-yl-1,2-oxazole-3-carboxamide
CID 115744558
2-(2-aminoethyl)-N-[(2-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 66372645

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (CID 51305038) is N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is COc1ccccc1CNC(=O)c1cc(-c2cccs2)on1.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is SQVIRLXJPOXKTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O3S/c1-20-13-6-3-2-5-11(13)10-17-16(19)12-9-14(21-18-12)15-7-4-8-22-15/h2-9H,10H2,1H3,(H,17,19).
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 314.37 g/mol, XLogP of 3.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 51305038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).