3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide

C24H23FN4O4 — CID 97361852

IUPAC3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1
InChIInChI=1S/C24H23FN4O4/c25-18-5-2-16(3-6-18)24-27-20(15-32-24)22-19-14-17(4-7-21(19)33-28-22)23(30)26-8-1-9-29-10-12-31-13-11-29/h2-7,14-15H,1,8-13H2,(H,26,30)
InChIKeyCCVRFNNKESJRDO-UHFFFAOYSA-N
MW450.47 g/mol
LogP3.74
Rot. Bonds7

About 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide

3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide (PubChem CID 97361852) has the molecular formula C24H23FN4O4 and a molecular weight of 450.47 g/mol. Its IUPAC name is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide
PubChem CID97361852
Molecular FormulaC24H23FN4O4
Molecular Weight450.47 g/mol
Exact Mass450.17
IUPAC Name3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide
SMILESO=C(NCCCN1CCOCC1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1
InChIInChI=1S/C24H23FN4O4/c25-18-5-2-16(3-6-18)24-27-20(15-32-24)22-19-14-17(4-7-21(19)33-28-22)23(30)26-8-1-9-29-10-12-31-13-11-29/h2-7,14-15H,1,8-13H2,(H,26,30)
InChIKeyCCVRFNNKESJRDO-UHFFFAOYSA-N
XLogP3.74
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.47
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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-(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-fluorophenoxy]propyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196379
3-[1-[4-[4-(1,3-Benzoxazol-2-yl)phenoxy]butyl]piperidin-4-yl]-6-fluoro-1,2-benzoxazole
CID 122196382
5-[1-(2,3-dihydro-1-benzofuran-5-carbonyl)piperidin-2-yl]-N-[(4-fluorophenyl)methyl]-1,2-oxazole-3-carboxamide
CID 49789824
N-[2-(dimethylamino)ethyl]-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97407378
N-(2-methoxyethyl)-N-methyl-3-(2-methyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97446393
3-(2-ethyl-1,3-oxazol-4-yl)-N-(2-methoxyethyl)-N-methyl-1,2-benzoxazole-5-carboxamide
CID 97446405
3-(2-methyl-1,3-oxazol-4-yl)-N-(2-morpholin-4-ylethyl)-1,2-benzoxazole-5-carboxamide
CID 97526234
N-[2-(dimethylamino)ethyl]-3-(2-ethyl-1,3-oxazol-4-yl)-1,2-benzoxazole-5-carboxamide
CID 97526244
5-(3,5-dimethyl-1,2-oxazol-4-yl)-7-(4-fluoro-2-methoxyphenyl)-N-methylfuro[2,3-c]pyridine-2-carboxamide
CID 134811199

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide?
The IUPAC name of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide (CID 97361852) is 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide.
What is the SMILES notation for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide?
The canonical SMILES for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide is O=C(NCCCN1CCOCC1)c1ccc2onc(-c3coc(-c4ccc(F)cc4)n3)c2c1.
What is the InChIKey of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide?
The InChIKey is CCVRFNNKESJRDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN4O4/c25-18-5-2-16(3-6-18)24-27-20(15-32-24)22-19-14-17(4-7-21(19)33-28-22)23(30)26-8-1-9-29-10-12-31-13-11-29/h2-7,14-15H,1,8-13H2,(H,26,30).
What are the key properties of 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide?
3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide has a molecular weight of 450.47 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-fluorophenyl)-1,3-oxazol-4-yl]-N-(3-morpholin-4-ylpropyl)-1,2-benzoxazole-5-carboxamide is sourced from PubChem (CID 97361852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).