N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide

C15H14N2O2S — CID 91788014

IUPACN-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc2oc(CNC(=O)Cc3cccs3)nc12
InChIInChI=1S/C15H14N2O2S/c1-10-4-2-6-12-15(10)17-14(19-12)9-16-13(18)8-11-5-3-7-20-11/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyNFBYGQNZCWEWOX-UHFFFAOYSA-N
MW286.36 g/mol
LogP3.06
Rot. Bonds4

About N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide

N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide (PubChem CID 91788014) has the molecular formula C15H14N2O2S and a molecular weight of 286.36 g/mol. Its IUPAC name is N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide.

Molecular Properties

Compound NameN-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide
PubChem CID91788014
Molecular FormulaC15H14N2O2S
Molecular Weight286.36 g/mol
Exact Mass286.08
IUPAC NameN-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide
SMILESCc1cccc2oc(CNC(=O)Cc3cccs3)nc12
InChIInChI=1S/C15H14N2O2S/c1-10-4-2-6-12-15(10)17-14(19-12)9-16-13(18)8-11-5-3-7-20-11/h2-7H,8-9H2,1H3,(H,16,18)
InChIKeyNFBYGQNZCWEWOX-UHFFFAOYSA-N
XLogP3.06
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.36
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide 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

2-methyl-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 131896751
2-thiophen-2-yl-N-(thiophen-2-ylmethyl)acetamide
CID 1245174
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-2-thiophen-2-ylacetamide
CID 110717409
1-(4-methyl-1,3-benzoxazol-2-yl)butan-2-one
CID 112710879
N-(naphthalen-1-ylmethyl)-2-thiophen-2-ylacetamide
CID 95960121
2-thiophen-2-yl-N-[2-[(2-thiophen-2-ylacetyl)amino]ethyl]acetamide
CID 25146649
N-[(4-methoxy-3-methylphenyl)methyl]-2-thiophen-2-ylacetamide
CID 110779769
2,2,2-trifluoro-N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]ethanamine
CID 79258276
ethyl 2-[(2-thiophen-2-ylacetyl)amino]acetate
CID 4632592
N-[2-(2-ethyl-6-methylanilino)-2-oxoethyl]-2-thiophen-2-ylacetamide
CID 112997000
1-amino-N-[2-(4-methyl-1,3-benzoxazol-2-yl)ethyl]cyclopropane-1-carboxamide
CID 119805023
2,2-dimethyl-3-(4-methyl-1,3-benzoxazol-2-yl)propanoic acid
CID 83859383

Frequently Asked Questions

What is the IUPAC name of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide?
The IUPAC name of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide (CID 91788014) is N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide.
What is the SMILES notation for N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide?
The canonical SMILES for N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide is Cc1cccc2oc(CNC(=O)Cc3cccs3)nc12.
What is the InChIKey of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide?
The InChIKey is NFBYGQNZCWEWOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2O2S/c1-10-4-2-6-12-15(10)17-14(19-12)9-16-13(18)8-11-5-3-7-20-11/h2-7H,8-9H2,1H3,(H,16,18).
What are the key properties of N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide?
N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide has a molecular weight of 286.36 g/mol, XLogP of 3.06, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-methyl-1,3-benzoxazol-2-yl)methyl]-2-thiophen-2-ylacetamide is sourced from PubChem (CID 91788014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).