N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide

C24H16FN3O3S — CID 97361899

IUPACN-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide
SMILESCOc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccc(F)c5)cc34)cs2)cc1
InChIInChI=1S/C24H16FN3O3S/c1-30-18-8-5-14(6-9-18)24-27-20(13-32-24)22-19-11-15(7-10-21(19)31-28-22)23(29)26-17-4-2-3-16(25)12-17/h2-13H,1H3,(H,26,29)
InChIKeyOSQDITDQPSILGR-UHFFFAOYSA-N
MW445.48 g/mol
LogP6.02
Rot. Bonds5

About N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide

N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide (PubChem CID 97361899) has the molecular formula C24H16FN3O3S and a molecular weight of 445.48 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide
PubChem CID97361899
Molecular FormulaC24H16FN3O3S
Molecular Weight445.48 g/mol
Exact Mass445.09
IUPAC NameN-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide
SMILESCOc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccc(F)c5)cc34)cs2)cc1
InChIInChI=1S/C24H16FN3O3S/c1-30-18-8-5-14(6-9-18)24-27-20(13-32-24)22-19-11-15(7-10-21(19)31-28-22)23(29)26-17-4-2-3-16(25)12-17/h2-13H,1H3,(H,26,29)
InChIKeyOSQDITDQPSILGR-UHFFFAOYSA-N
XLogP6.02
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.48
LogP ≤ 56.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-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

3-(2-methyl-1,3-thiazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97446424
N-[5-methyl-3-[2-[4-propan-2-yl-2-[4-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]-1,2-benzoxazol-6-yl]acetamide
CID 21928233
N-[5-methyl-3-[2-[4-propan-2-yl-2-[2-(trifluoromethyl)phenyl]-1,3-thiazol-5-yl]ethyl]-1,2-benzoxazol-6-yl]acetamide
CID 68882946
3-(2-methyl-1,3-thiazol-4-yl)-N-pyridin-3-yl-1,2-benzoxazole-5-carboxamide
CID 97446429
2-[5-(4-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 16878841
2-[5-(2-fluorophenyl)-1,2-oxazol-3-yl]-N-[4-(6-methyl-1,3-benzothiazol-2-yl)phenyl]acetamide
CID 45527586
2-(1,2-Benzoxazol-3-yl)-1-[4-[[4-(4-fluorophenyl)-1,3-thiazol-2-yl]methyl]piperazin-1-yl]ethanone
CID 45538046
2-(1,2-benzoxazol-3-yl)-N-[4-(3-fluoro-4-methoxyphenyl)-1,3-thiazol-2-yl]acetamide
CID 51218123
2-(benzo[d]isoxazol-3-yl)-N-(2-(2-(2-fluorophenyl)thiazol-4-yl)phenyl)acetamide
CID 73168705
5-(3,4-difluorophenyl)-N-[2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethyl]-1,2-oxazole-3-carboxamide
CID 91949599
N-[(3,4-difluorophenyl)methyl]-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361871
N-(4-fluorophenyl)-3-(2-methyl-1,3-thiazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97361874

Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide?
The IUPAC name of N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide (CID 97361899) is N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide is COc1ccc(-c2nc(-c3noc4ccc(C(=O)Nc5cccc(F)c5)cc34)cs2)cc1.
What is the InChIKey of N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide?
The InChIKey is OSQDITDQPSILGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN3O3S/c1-30-18-8-5-14(6-9-18)24-27-20(13-32-24)22-19-11-15(7-10-21(19)31-28-22)23(29)26-17-4-2-3-16(25)12-17/h2-13H,1H3,(H,26,29).
What are the key properties of N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide?
N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide has a molecular weight of 445.48 g/mol, XLogP of 6.02, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97361899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).