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

C20H17N3O2S — CID 3013324

IUPACN-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1
InChIInChI=1S/C20H17N3O2S/c1-23(2)15-8-5-13(6-9-15)20-22-16-12-14(7-10-17(16)25-20)21-19(24)18-4-3-11-26-18/h3-12H,1-2H3,(H,21,24)
InChIKeyYQHKTAGNNBYDSU-UHFFFAOYSA-N
MW363.44 g/mol
LogP4.87
Rot. Bonds4

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

N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide (PubChem CID 3013324) has the molecular formula C20H17N3O2S and a molecular weight of 363.44 g/mol. Its IUPAC name is N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
PubChem CID3013324
Molecular FormulaC20H17N3O2S
Molecular Weight363.44 g/mol
Exact Mass363.10
IUPAC NameN-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
SMILESCN(C)c1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1
InChIInChI=1S/C20H17N3O2S/c1-23(2)15-8-5-13(6-9-15)20-22-16-12-14(7-10-17(16)25-20)21-19(24)18-4-3-11-26-18/h3-12H,1-2H3,(H,21,24)
InChIKeyYQHKTAGNNBYDSU-UHFFFAOYSA-N
XLogP4.87
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_G(9)', 'substructure': 'N/A'}

Analyze N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]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

Related Compounds

N-[2-(4-ethylphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 3013323
N-[2-(3,4-dichlorophenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 2279249
N-[2-(3-methoxyphenyl)-1,3-benzoxazol-5-yl]thiophene-2-carboxamide
CID 17092611
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]propanamide
CID 1361244
N-[3-(5-methyl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 881581
5-(4-bromophenyl)-N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]furan-2-carboxamide
CID 23733323
N-[[4-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 1016760
N-[4-(5-benzamido-1,3-benzoxazol-2-yl)phenyl]benzamide
CID 53356244
N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]-4-methylbenzamide
CID 19630862
2-chloro-N-[2-[4-(diethylamino)phenyl]-1,3-benzoxazol-5-yl]benzamide
CID 22777282
N-[2-chloro-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]thiophene-2-carboxamide
CID 15987508
3-methyl-N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]benzamide
CID 2833240

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The IUPAC name of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide (CID 3013324) is N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide is CN(C)c1ccc(-c2nc3cc(NC(=O)c4cccs4)ccc3o2)cc1.
What is the InChIKey of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
The InChIKey is YQHKTAGNNBYDSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2S/c1-23(2)15-8-5-13(6-9-15)20-22-16-12-14(7-10-17(16)25-20)21-19(24)18-4-3-11-26-18/h3-12H,1-2H3,(H,21,24).
What are the key properties of N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide?
N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide has a molecular weight of 363.44 g/mol, XLogP of 4.87, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(dimethylamino)phenyl]-1,3-benzoxazol-5-yl]thiophene-2-carboxamide is sourced from PubChem (CID 3013324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).