4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

C21H24N2O4S — CID 55389254

IUPAC4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C21H24N2O4S/c24-20(10-3-11-23-18-8-1-2-9-19(18)27-21(23)25)22(14-16-6-4-12-26-16)15-17-7-5-13-28-17/h1-2,5,7-9,13,16H,3-4,6,10-12,14-15H2
InChIKeyMYFCKOMCHPJSFL-UHFFFAOYSA-N
MW400.50 g/mol
LogP3.64
Rot. Bonds8

About 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide

4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (PubChem CID 55389254) has the molecular formula C21H24N2O4S and a molecular weight of 400.50 g/mol. Its IUPAC name is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.

Molecular Properties

Compound Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
PubChem CID55389254
Molecular FormulaC21H24N2O4S
Molecular Weight400.50 g/mol
Exact Mass400.15
IUPAC Name4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
SMILESO=C(CCCn1c(=O)oc2ccccc21)N(Cc1cccs1)CC1CCCO1
InChIInChI=1S/C21H24N2O4S/c24-20(10-3-11-23-18-8-1-2-9-19(18)27-21(23)25)22(14-16-6-4-12-26-16)15-17-7-5-13-28-17/h1-2,5,7-9,13,16H,3-4,6,10-12,14-15H2
InChIKeyMYFCKOMCHPJSFL-UHFFFAOYSA-N
XLogP3.64
TPSA64.68 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.50
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide 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

3-(1,3-dioxoisoindol-2-yl)-N-[[(2R)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9194353
N-[(2-methoxyphenyl)methyl]-3-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 55968770
N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 60717923
4-(4-methylphenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide
CID 55773459
N-(oxolan-2-ylmethyl)-4-(5-phenyl-1,3-oxazol-2-yl)-N-(thiophen-2-ylmethyl)butanamide
CID 112823627
N-[(2-methylphenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)acetamide
CID 131897549
3-(4-methylpyrazol-1-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 87044999
N-(oxolan-2-ylmethyl)-3-[(2-phenylacetyl)amino]-N-(thiophen-2-ylmethyl)propanamide
CID 134012194
1-[[(2R)-oxolan-2-yl]methyl]-1-(thiophen-2-ylmethyl)urea
CID 95581392
3-(4-fluorophenyl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)propanamide
CID 78810035
N-[[1-(2-methoxyethyl)piperidin-4-yl]methyl]-N-(oxolan-2-ylmethyl)-4-thiophen-2-ylbutanamide
CID 45201215
4-oxo-N-[[(2S)-oxolan-2-yl]methyl]-N-(thiophen-2-ylmethyl)chromene-2-carboxamide
CID 35541317

Frequently Asked Questions

What is the IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The IUPAC name of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide (CID 55389254) is 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide.
What is the SMILES notation for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The canonical SMILES for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is O=C(CCCn1c(=O)oc2ccccc21)N(Cc1cccs1)CC1CCCO1.
What is the InChIKey of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
The InChIKey is MYFCKOMCHPJSFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O4S/c24-20(10-3-11-23-18-8-1-2-9-19(18)27-21(23)25)22(14-16-6-4-12-26-16)15-17-7-5-13-28-17/h1-2,5,7-9,13,16H,3-4,6,10-12,14-15H2.
What are the key properties of 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide?
4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide has a molecular weight of 400.50 g/mol, XLogP of 3.64, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-oxo-1,3-benzoxazol-3-yl)-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)butanamide is sourced from PubChem (CID 55389254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).