1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one

C18H17NO2 — CID 14899374

IUPAC1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
SMILESCC(C(=O)c1ccccc1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H17NO2/c1-13(18(20)15-10-6-3-7-11-15)17-12-16(19-21-17)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyVRTCVYVXAWKDPY-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.70
Rot. Bonds4

About 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one

1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one (PubChem CID 14899374) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
PubChem CID14899374
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
SMILESCC(C(=O)c1ccccc1)C1CC(c2ccccc2)=NO1
InChIInChI=1S/C18H17NO2/c1-13(18(20)15-10-6-3-7-11-15)17-12-16(19-21-17)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3
InChIKeyVRTCVYVXAWKDPY-UHFFFAOYSA-N
XLogP3.70
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one (CID 14899374) is 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one is CC(C(=O)c1ccccc1)C1CC(c2ccccc2)=NO1.
What is the InChIKey of 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is VRTCVYVXAWKDPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-13(18(20)15-10-6-3-7-11-15)17-12-16(19-21-17)14-8-4-2-5-9-14/h2-11,13,17H,12H2,1H3.
What are the key properties of 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 279.34 g/mol, XLogP of 3.70, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-2-(3-phenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 14899374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).