5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide

C19H19FN2O3 — CID 110616444

IUPAC5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
SMILESCn1c(=O)oc2cc(NC(=O)CCCCc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H19FN2O3/c1-22-16-11-10-15(12-17(16)25-19(22)24)21-18(23)5-3-2-4-13-6-8-14(20)9-7-13/h6-12H,2-5H2,1H3,(H,21,23)
InChIKeyHKLNTYFRPFJDSV-UHFFFAOYSA-N
MW342.37 g/mol
LogP3.62
Rot. Bonds6

About 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide

5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide (PubChem CID 110616444) has the molecular formula C19H19FN2O3 and a molecular weight of 342.37 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide.

Molecular Properties

Compound Name5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
PubChem CID110616444
Molecular FormulaC19H19FN2O3
Molecular Weight342.37 g/mol
Exact Mass342.14
IUPAC Name5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide
SMILESCn1c(=O)oc2cc(NC(=O)CCCCc3ccc(F)cc3)ccc21
InChIInChI=1S/C19H19FN2O3/c1-22-16-11-10-15(12-17(16)25-19(22)24)21-18(23)5-3-2-4-13-6-8-14(20)9-7-13/h6-12H,2-5H2,1H3,(H,21,23)
InChIKeyHKLNTYFRPFJDSV-UHFFFAOYSA-N
XLogP3.62
TPSA64.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.37
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-2-(4-methylphenyl)acetamide
CID 110662181
N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-5-oxo-5-phenylpentanamide
CID 110412208
4-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)-4-phenylpentanamide
CID 110608238
N'-methyl-4-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanehydrazide
CID 116846543
N-(4-fluorophenyl)-3-methyl-2-oxo-1,3-benzoxazole-6-carboxamide
CID 110766557
2-(2-fluorophenoxy)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110662188
2-(1-hydroxycyclopentyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 111430879
4-amino-3-methyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)butanamide
CID 115156250
3-(2-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-5-yl)propanamide
CID 110607968
2-(5-methyl-1,2-oxazol-3-yl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)acetamide
CID 110608265
methyl 5-[(3-ethyl-2-oxo-1,3-benzoxazol-6-yl)amino]-5-oxopentanoate
CID 50796907
N-(4-fluorophenyl)-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 4822275

Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide?
The IUPAC name of 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide (CID 110616444) is 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide.
What is the SMILES notation for 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide?
The canonical SMILES for 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide is Cn1c(=O)oc2cc(NC(=O)CCCCc3ccc(F)cc3)ccc21.
What is the InChIKey of 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide?
The InChIKey is HKLNTYFRPFJDSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O3/c1-22-16-11-10-15(12-17(16)25-19(22)24)21-18(23)5-3-2-4-13-6-8-14(20)9-7-13/h6-12H,2-5H2,1H3,(H,21,23).
What are the key properties of 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide?
5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide has a molecular weight of 342.37 g/mol, XLogP of 3.62, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)pentanamide is sourced from PubChem (CID 110616444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).