N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

C18H18N2O4S — CID 46347301

IUPACN-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ncoc2-c2ccc(C)s2)c1
InChIInChI=1S/C18H18N2O4S/c1-11-4-7-15(25-11)17-16(20-10-24-17)18(21)19-9-12-8-13(22-2)5-6-14(12)23-3/h4-8,10H,9H2,1-3H3,(H,19,21)
InChIKeyHJIMXQWDUFSJTN-UHFFFAOYSA-N
MW358.42 g/mol
LogP3.66
Rot. Bonds6

About N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide

N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (PubChem CID 46347301) has the molecular formula C18H18N2O4S and a molecular weight of 358.42 g/mol. Its IUPAC name is N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
PubChem CID46347301
Molecular FormulaC18H18N2O4S
Molecular Weight358.42 g/mol
Exact Mass358.10
IUPAC NameN-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccc(OC)c(CNC(=O)c2ncoc2-c2ccc(C)s2)c1
InChIInChI=1S/C18H18N2O4S/c1-11-4-7-15(25-11)17-16(20-10-24-17)18(21)19-9-12-8-13(22-2)5-6-14(12)23-3/h4-8,10H,9H2,1-3H3,(H,19,21)
InChIKeyHJIMXQWDUFSJTN-UHFFFAOYSA-N
XLogP3.66
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide
CID 46347296
1-N,4-N-bis[(2,5-dimethoxyphenyl)methyl]benzene-1,4-dicarboxamide
CID 46542093
4-amino-N-[(2,5-dimethoxyphenyl)methyl]-5-methylthiophene-2-carboxamide
CID 61113758
N-[(3,4-dimethoxyphenyl)methyl]-5-(3-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963676
5-N-[(2,5-dimethoxyphenyl)methyl]-2-N-phenyl-1,3,4-thiadiazole-2,5-dicarboxamide
CID 46353994
N-[(2,5-dimethoxyphenyl)methyl]-2-[(5-fluoro-2-pyridinyl)amino]-4-methyl-1,3-thiazole-5-carboxamide
CID 53199979
N-[(3-ethoxy-4-methoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963592
5-(4-methoxyphenyl)-N-[(3-methoxyphenyl)methyl]-1,3-oxazole-4-carboxamide
CID 20963569
N-[(2-ethoxyphenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963591
N-[(2,5-dimethoxyphenyl)methyl]-3-methylbenzamide
CID 33097699
5-bromo-N-[(2,5-dimethoxyphenyl)methyl]pyridine-2-carboxamide
CID 62954388
N-[(2-fluorophenyl)methyl]-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 20963589

Frequently Asked Questions

What is the IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide (CID 46347301) is N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is COc1ccc(OC)c(CNC(=O)c2ncoc2-c2ccc(C)s2)c1.
What is the InChIKey of N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is HJIMXQWDUFSJTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4S/c1-11-4-7-15(25-11)17-16(20-10-24-17)18(21)19-9-12-8-13(22-2)5-6-14(12)23-3/h4-8,10H,9H2,1-3H3,(H,19,21).
What are the key properties of N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide?
N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 358.42 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,5-dimethoxyphenyl)methyl]-5-(5-methylthiophen-2-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 46347301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).