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

C21H15FN2O2 — CID 22575602

IUPACN-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C21H15FN2O2/c22-17-9-6-14(7-10-17)13-23-21(25)16-8-11-19-18(12-16)20(26-24-19)15-4-2-1-3-5-15/h1-12H,13H2,(H,23,25)
InChIKeyDNFLTZTYDQIGPO-UHFFFAOYSA-N
MW346.36 g/mol
LogP4.56
Rot. Bonds4

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

N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (PubChem CID 22575602) has the molecular formula C21H15FN2O2 and a molecular weight of 346.36 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
PubChem CID22575602
Molecular FormulaC21H15FN2O2
Molecular Weight346.36 g/mol
Exact Mass346.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1ccc2noc(-c3ccccc3)c2c1
InChIInChI=1S/C21H15FN2O2/c22-17-9-6-14(7-10-17)13-23-21(25)16-8-11-19-18(12-16)20(26-24-19)15-4-2-1-3-5-15/h1-12H,13H2,(H,23,25)
InChIKeyDNFLTZTYDQIGPO-UHFFFAOYSA-N
XLogP4.56
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 54.56
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]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide (CID 22575602) is N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is O=C(NCc1ccc(F)cc1)c1ccc2noc(-c3ccccc3)c2c1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
The InChIKey is DNFLTZTYDQIGPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15FN2O2/c22-17-9-6-14(7-10-17)13-23-21(25)16-8-11-19-18(12-16)20(26-24-19)15-4-2-1-3-5-15/h1-12H,13H2,(H,23,25).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide has a molecular weight of 346.36 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-phenyl-2,1-benzoxazole-5-carboxamide is sourced from PubChem (CID 22575602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).