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

C21H16FN3O4 — CID 97407374

IUPAC[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1)N1CCOCC1
InChIInChI=1S/C21H16FN3O4/c22-15-4-1-13(2-5-15)20-23-17(12-28-20)19-16-11-14(3-6-18(16)29-24-19)21(26)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2
InChIKeyRFWQKXXWVUBPHR-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.76
Rot. Bonds3

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

[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone (PubChem CID 97407374) has the molecular formula C21H16FN3O4 and a molecular weight of 393.37 g/mol. Its IUPAC name is [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone
PubChem CID97407374
Molecular FormulaC21H16FN3O4
Molecular Weight393.37 g/mol
Exact Mass393.11
IUPAC Name[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone
SMILESO=C(c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1)N1CCOCC1
InChIInChI=1S/C21H16FN3O4/c22-15-4-1-13(2-5-15)20-23-17(12-28-20)19-16-11-14(3-6-18(16)29-24-19)21(26)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2
InChIKeyRFWQKXXWVUBPHR-UHFFFAOYSA-N
XLogP3.76
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone with MolForge

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Related Compounds

N-[1-(3-isoxazolyl)ethyl]-2-(4-methoxybenzyl)-N-methyl-1,3-benzoxazole-6-carboxamide
CID 24790227
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196373
2-[4-[3-[4-(6-Fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]propoxy]phenyl]-5-methyl-1,3-benzoxazole
CID 122196375
3-[1-[3-[4-(5-Chloro-1,3-benzoxazol-2-yl)phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196376
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-2-methylphenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196377
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-3-methoxyphenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196378
3-[1-[3-[4-(1,3-Benzoxazol-2-yl)-3-fluorophenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196379
3-[1-[3-[4-(1,3-Benzoxazol-2-ylmethyl)phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196381
3-[1-[4-[4-(1,3-Benzoxazol-2-yl)phenoxy]butyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196382
3-[1-[3-[4-[2-(1,3-Benzoxazol-2-yl)ethyl]phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196384
3-[1-[3-[4-[1-(1,3-Benzoxazol-2-yl)ethyl]phenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196385
(1-Isoxazol-3-ylethyl){[2-(4-methoxy-2,3-dimethylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}methylamine
CID 16192044

Frequently Asked Questions

What is the IUPAC name of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone (CID 97407374) is [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone is O=C(c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1)N1CCOCC1.
What is the InChIKey of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone?
The InChIKey is RFWQKXXWVUBPHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O4/c22-15-4-1-13(2-5-15)20-23-17(12-28-20)19-16-11-14(3-6-18(16)29-24-19)21(26)25-7-9-27-10-8-25/h1-6,11-12H,7-10H2.
What are the key properties of [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone?
[3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone has a molecular weight of 393.37 g/mol, XLogP of 3.76, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-1,2-benzoxazol-5-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 97407374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).