N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

C19H15FN2O2 — CID 22427632

IUPACN-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C19H15FN2O2/c20-14-8-5-12(6-9-14)11-21-19(23)17-16-10-7-13-3-1-2-4-15(13)18(16)24-22-17/h1-6,8-9H,7,10-11H2,(H,21,23)
InChIKeyFORMFBOGWAZMHJ-UHFFFAOYSA-N
MW322.34 g/mol
LogP3.51
Rot. Bonds3

About N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide

N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (PubChem CID 22427632) has the molecular formula C19H15FN2O2 and a molecular weight of 322.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
PubChem CID22427632
Molecular FormulaC19H15FN2O2
Molecular Weight322.34 g/mol
Exact Mass322.11
IUPAC NameN-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1noc2c1CCc1ccccc1-2
InChIInChI=1S/C19H15FN2O2/c20-14-8-5-12(6-9-14)11-21-19(23)17-16-10-7-13-3-1-2-4-15(13)18(16)24-22-17/h1-6,8-9H,7,10-11H2,(H,21,23)
InChIKeyFORMFBOGWAZMHJ-UHFFFAOYSA-N
XLogP3.51
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.34
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide (CID 22427632) is N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is O=C(NCc1ccc(F)cc1)c1noc2c1CCc1ccccc1-2.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
The InChIKey is FORMFBOGWAZMHJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2/c20-14-8-5-12(6-9-14)11-21-19(23)17-16-10-7-13-3-1-2-4-15(13)18(16)24-22-17/h1-6,8-9H,7,10-11H2,(H,21,23).
What are the key properties of N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide?
N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide has a molecular weight of 322.34 g/mol, XLogP of 3.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-4,5-dihydrobenzo[g][1,2]benzoxazole-3-carboxamide is sourced from PubChem (CID 22427632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).