N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide

C21H18N2O2S — CID 1316208

IUPACN-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1
InChIInChI=1S/C21H18N2O2S/c1-13(2)15-7-10-18-17(12-15)23-21(25-18)14-5-8-16(9-6-14)22-20(24)19-4-3-11-26-19/h3-13H,1-2H3,(H,22,24)
InChIKeyFTIYJRRMRQCMLT-UHFFFAOYSA-N
MW362.45 g/mol
LogP5.93
Rot. Bonds4

About N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide

N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (PubChem CID 1316208) has the molecular formula C21H18N2O2S and a molecular weight of 362.45 g/mol. Its IUPAC name is N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
PubChem CID1316208
Molecular FormulaC21H18N2O2S
Molecular Weight362.45 g/mol
Exact Mass362.11
IUPAC NameN-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
SMILESCC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1
InChIInChI=1S/C21H18N2O2S/c1-13(2)15-7-10-18-17(12-15)23-21(25-18)14-5-8-16(9-6-14)22-20(24)19-4-3-11-26-19/h3-13H,1-2H3,(H,22,24)
InChIKeyFTIYJRRMRQCMLT-UHFFFAOYSA-N
XLogP5.93
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.45
LogP ≤ 55.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide (CID 1316208) is N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is CC(C)c1ccc2oc(-c3ccc(NC(=O)c4cccs4)cc3)nc2c1.
What is the InChIKey of N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
The InChIKey is FTIYJRRMRQCMLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O2S/c1-13(2)15-7-10-18-17(12-15)23-21(25-18)14-5-8-16(9-6-14)22-20(24)19-4-3-11-26-19/h3-13H,1-2H3,(H,22,24).
What are the key properties of N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide?
N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide has a molecular weight of 362.45 g/mol, XLogP of 5.93, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide is sourced from PubChem (CID 1316208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).