[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

C21H16FN3O3S — CID 97446673

IUPAC[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(-c2noc3cc(-c4ccc(F)cc4)ccc23)s1)N1CCOCC1
InChIInChI=1S/C21H16FN3O3S/c22-15-4-1-13(2-5-15)14-3-6-16-17(11-14)28-24-19(16)20-23-12-18(29-20)21(26)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2
InChIKeyISBCDPWTMHZAHK-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.23
Rot. Bonds3

About [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone

[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 97446673) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
PubChem CID97446673
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1cnc(-c2noc3cc(-c4ccc(F)cc4)ccc23)s1)N1CCOCC1
InChIInChI=1S/C21H16FN3O3S/c22-15-4-1-13(2-5-15)14-3-6-16-17(11-14)28-24-19(16)20-23-12-18(29-20)21(26)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2
InChIKeyISBCDPWTMHZAHK-UHFFFAOYSA-N
XLogP4.23
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone 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-pyrrolidin-1-ylethyl)-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
CID 97407388
N-ethyl-N-methyl-2-(6-piperidin-1-yl-1,2-benzoxazol-3-yl)-1,3-thiazole-5-carboxamide
CID 97446643
N-[2-(dimethylamino)ethyl]-3-(1,3-thiazol-2-yl)-1,2-benzoxazole-6-carboxamide
CID 97526354
[4-(Dimethylamino)piperidin-1-yl]-[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]methanone
CID 97446669
(2-{(E)-2-[3-(5-Fluoro-pyridin-2-yl)-5-methyl-isoxazol-4-yl]-vinyl}-thiazol-5-yl)-morpholin-4-yl-methanone
CID 49780480
[2-[2-[3-(5-Fluoro-2-pyridinyl)-5-methyl-1,2-oxazol-4-yl]ethenyl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone
CID 66643635
2-[6-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-7-fluoro-5-formyl-1,2-benzoxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 87399281
2-[6-(2,6-dimethylmorpholin-4-yl)-7-fluoro-5-formyl-1,2-benzoxazol-3-yl]-N,N-dimethyl-1,3-thiazole-5-carboxamide
CID 123180160
6-Fluoro-3-[3-[3-[2-(4-fluorophenyl)-1,3-thiazol-5-yl]pyrrolidin-1-yl]propyl]-1,2-benzoxazole
CID 140985232
N-[2-(dimethylamino)ethyl]-2-[6-(2-methylphenyl)-1,2-benzoxazol-3-yl]-1,3-thiazole-5-carboxamide
CID 97446659
(2,4-Dimethyl-1,3-thiazol-5-yl)[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]methanone
CID 60180693
(4-(6-Fluorobenzo[d]isoxazol-3-yl)piperidin-1-yl)(2-methyl-4-propylthiazol-5-yl)methanone
CID 71706641

Frequently Asked Questions

What is the IUPAC name of [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone (CID 97446673) is [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is O=C(c1cnc(-c2noc3cc(-c4ccc(F)cc4)ccc23)s1)N1CCOCC1.
What is the InChIKey of [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is ISBCDPWTMHZAHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c22-15-4-1-13(2-5-15)14-3-6-16-17(11-14)28-24-19(16)20-23-12-18(29-20)21(26)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2.
What are the key properties of [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone?
[2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 409.44 g/mol, XLogP of 4.23, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[6-(4-fluorophenyl)-1,2-benzoxazol-3-yl]-1,3-thiazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97446673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).