1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea

C18H16FN3O2 — CID 71856855

IUPAC1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESO=C(NCc1ccon1)NC(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c19-15-8-4-7-14(11-15)17(13-5-2-1-3-6-13)21-18(23)20-12-16-9-10-24-22-16/h1-11,17H,12H2,(H2,20,21,23)
InChIKeyKTDCVNMEDKTACR-UHFFFAOYSA-N
MW325.34 g/mol
LogP3.40
Rot. Bonds5

About 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea

1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea (PubChem CID 71856855) has the molecular formula C18H16FN3O2 and a molecular weight of 325.34 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea
PubChem CID71856855
Molecular FormulaC18H16FN3O2
Molecular Weight325.34 g/mol
Exact Mass325.12
IUPAC Name1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea
SMILESO=C(NCc1ccon1)NC(c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C18H16FN3O2/c19-15-8-4-7-14(11-15)17(13-5-2-1-3-6-13)21-18(23)20-12-16-9-10-24-22-16/h1-11,17H,12H2,(H2,20,21,23)
InChIKeyKTDCVNMEDKTACR-UHFFFAOYSA-N
XLogP3.40
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.34
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The IUPAC name of 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea (CID 71856855) is 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea.
What is the SMILES notation for 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The canonical SMILES for 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea is O=C(NCc1ccon1)NC(c1ccccc1)c1cccc(F)c1.
What is the InChIKey of 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
The InChIKey is KTDCVNMEDKTACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FN3O2/c19-15-8-4-7-14(11-15)17(13-5-2-1-3-6-13)21-18(23)20-12-16-9-10-24-22-16/h1-11,17H,12H2,(H2,20,21,23).
What are the key properties of 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea?
1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea has a molecular weight of 325.34 g/mol, XLogP of 3.40, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)-phenylmethyl]-3-(1,2-oxazol-3-ylmethyl)urea is sourced from PubChem (CID 71856855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).