7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one

C24H23FN2O3 — CID 170129841

IUPAC7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one
SMILESCCCCc1cc(F)cc2c1oc(=O)n2-c1ccc(OCc2ccccc2)nc1C
InChIInChI=1S/C24H23FN2O3/c1-3-4-10-18-13-19(25)14-21-23(18)30-24(28)27(21)20-11-12-22(26-16(20)2)29-15-17-8-6-5-7-9-17/h5-9,11-14H,3-4,10,15H2,1-2H3
InChIKeyRNHKMJKARHCWLJ-UHFFFAOYSA-N
MW406.46 g/mol
LogP5.35
Rot. Bonds7

About 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one

7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one (PubChem CID 170129841) has the molecular formula C24H23FN2O3 and a molecular weight of 406.46 g/mol. Its IUPAC name is 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one
PubChem CID170129841
Molecular FormulaC24H23FN2O3
Molecular Weight406.46 g/mol
Exact Mass406.17
IUPAC Name7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one
SMILESCCCCc1cc(F)cc2c1oc(=O)n2-c1ccc(OCc2ccccc2)nc1C
InChIInChI=1S/C24H23FN2O3/c1-3-4-10-18-13-19(25)14-21-23(18)30-24(28)27(21)20-11-12-22(26-16(20)2)29-15-17-8-6-5-7-9-17/h5-9,11-14H,3-4,10,15H2,1-2H3
InChIKeyRNHKMJKARHCWLJ-UHFFFAOYSA-N
XLogP5.35
TPSA57.26 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.46
LogP ≤ 55.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one?
The IUPAC name of 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one (CID 170129841) is 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one?
The canonical SMILES for 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one is CCCCc1cc(F)cc2c1oc(=O)n2-c1ccc(OCc2ccccc2)nc1C.
What is the InChIKey of 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one?
The InChIKey is RNHKMJKARHCWLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O3/c1-3-4-10-18-13-19(25)14-21-23(18)30-24(28)27(21)20-11-12-22(26-16(20)2)29-15-17-8-6-5-7-9-17/h5-9,11-14H,3-4,10,15H2,1-2H3.
What are the key properties of 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one?
7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one has a molecular weight of 406.46 g/mol, XLogP of 5.35, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-butyl-5-fluoro-3-(2-methyl-6-phenylmethoxy-3-pyridinyl)-1,3-benzoxazol-2-one is sourced from PubChem (CID 170129841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).