N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide

C18H15FN2O3 — CID 71802493

IUPACN-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C18H15FN2O3/c19-15-8-6-13(7-9-15)11-20-18(22)16-10-17(21-24-16)23-12-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,20,22)
InChIKeyHUHWDYRMRDKFRM-UHFFFAOYSA-N
MW326.33 g/mol
LogP3.32
Rot. Bonds6

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

N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide (PubChem CID 71802493) has the molecular formula C18H15FN2O3 and a molecular weight of 326.33 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
PubChem CID71802493
Molecular FormulaC18H15FN2O3
Molecular Weight326.33 g/mol
Exact Mass326.11
IUPAC NameN-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide
SMILESO=C(NCc1ccc(F)cc1)c1cc(OCc2ccccc2)no1
InChIInChI=1S/C18H15FN2O3/c19-15-8-6-13(7-9-15)11-20-18(22)16-10-17(21-24-16)23-12-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,20,22)
InChIKeyHUHWDYRMRDKFRM-UHFFFAOYSA-N
XLogP3.32
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.33
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide (CID 71802493) is N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide is O=C(NCc1ccc(F)cc1)c1cc(OCc2ccccc2)no1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
The InChIKey is HUHWDYRMRDKFRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN2O3/c19-15-8-6-13(7-9-15)11-20-18(22)16-10-17(21-24-16)23-12-14-4-2-1-3-5-14/h1-10H,11-12H2,(H,20,22).
What are the key properties of N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide?
N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide has a molecular weight of 326.33 g/mol, XLogP of 3.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-3-phenylmethoxy-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 71802493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).