N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide

C18H18N2O3S — CID 47074235

IUPACN-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)c1ncoc1C
InChIInChI=1S/C18H18N2O3S/c1-13-17(19-12-23-13)18(21)20(11-15-7-5-9-24-15)10-14-6-3-4-8-16(14)22-2/h3-9,12H,10-11H2,1-2H3
InChIKeyIJYJBSGDKYCSBD-UHFFFAOYSA-N
MW342.42 g/mol
LogP3.90
Rot. Bonds6

About N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide

N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide (PubChem CID 47074235) has the molecular formula C18H18N2O3S and a molecular weight of 342.42 g/mol. Its IUPAC name is N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
PubChem CID47074235
Molecular FormulaC18H18N2O3S
Molecular Weight342.42 g/mol
Exact Mass342.10
IUPAC NameN-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1ccccc1CN(Cc1cccs1)C(=O)c1ncoc1C
InChIInChI=1S/C18H18N2O3S/c1-13-17(19-12-23-13)18(21)20(11-15-7-5-9-24-15)10-14-6-3-4-8-16(14)22-2/h3-9,12H,10-11H2,1-2H3
InChIKeyIJYJBSGDKYCSBD-UHFFFAOYSA-N
XLogP3.90
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(2-methoxyphenyl)methyl]-6-methyl-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 31119902
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)pyrazine-2-carboxamide
CID 26905550
2-hydroxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 112795014
2-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)acetamide
CID 119268849
3,5-dimethoxy-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8700024
4-(methoxymethyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)benzamide
CID 8891705
3-amino-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 119268847
(E)-3-(2-methoxyphenyl)-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)prop-2-enamide
CID 26905554
2-ethyl-N-[(2-methoxyphenyl)methyl]-N-(thiophen-2-ylmethyl)butanamide
CID 112795027
N-[(2-methoxyphenyl)methyl]-2-(methylamino)-N-(thiophen-2-ylmethyl)acetamide
CID 119685026
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)propanamide
CID 134034593
N-[(2-methoxyphenyl)methyl]-3-methylsulfonyl-N-(thiophen-2-ylmethyl)benzamide
CID 55333106

Frequently Asked Questions

What is the IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide (CID 47074235) is N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide is COc1ccccc1CN(Cc1cccs1)C(=O)c1ncoc1C.
What is the InChIKey of N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is IJYJBSGDKYCSBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3S/c1-13-17(19-12-23-13)18(21)20(11-15-7-5-9-24-15)10-14-6-3-4-8-16(14)22-2/h3-9,12H,10-11H2,1-2H3.
What are the key properties of N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide?
N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methoxyphenyl)methyl]-5-methyl-N-(thiophen-2-ylmethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 47074235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).