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

C18H17NO2 — CID 563444

IUPAC1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
SMILESCCC(=O)C1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-2-15(20)18-16(13-9-5-3-6-10-13)17(19-21-18)14-11-7-4-8-12-14/h3-12,16,18H,2H2,1H3
InChIKeyAYZSPYAMQLINMT-UHFFFAOYSA-N
MW279.34 g/mol
LogP3.55
Rot. Bonds4

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

1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one (PubChem CID 563444) has the molecular formula C18H17NO2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one.

Molecular Properties

Compound Name1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
PubChem CID563444
Molecular FormulaC18H17NO2
Molecular Weight279.34 g/mol
Exact Mass279.13
IUPAC Name1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one
SMILESCCC(=O)C1ON=C(c2ccccc2)C1c1ccccc1
InChIInChI=1S/C18H17NO2/c1-2-15(20)18-16(13-9-5-3-6-10-13)17(19-21-18)14-11-7-4-8-12-14/h3-12,16,18H,2H2,1H3
InChIKeyAYZSPYAMQLINMT-UHFFFAOYSA-N
XLogP3.55
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 ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5R)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561450
(5S)-5-benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 71561453
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole
CID 13682273
5-Benzyl-3-phenyl-4,5-dihydro-1,2-oxazole;hydrochloride
CID 44585629
1-[(4S)-3-methyl-5-phenyl-4,5-dihydroisoxazol-4-yl]ethanone; 1-[(5R)-3-methyl-4-phenyl-4,5-dihydroisoxazol-5-yl]ethanone
CID 16075528
3-Phenyl-5-phenacyl-2-isoxazoline
CID 11842091
4(5H)-Isoxazolone, 5,5-dimethyl-3-phenyl-
CID 786761
3,4-diphenyl-5(4H)-isoxazolone
CID 12486396
5-(Fluoromethyl)-3,4-diphenyl-4,5-dihydro-1,2-oxazole
CID 154714641
1-(3-Phenyl-4,5-dihydro-1,2-oxazol-5-yl)ethan-1-one
CID 12708131
5-Formyl-3-phenylisoxazoline
CID 15122216
3,4-Diphenyl-2-isoxazoline-5-carboxylic acid
CID 129668265

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
The IUPAC name of 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one (CID 563444) is 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one.
What is the SMILES notation for 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
The canonical SMILES for 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one is CCC(=O)C1ON=C(c2ccccc2)C1c1ccccc1.
What is the InChIKey of 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
The InChIKey is AYZSPYAMQLINMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO2/c1-2-15(20)18-16(13-9-5-3-6-10-13)17(19-21-18)14-11-7-4-8-12-14/h3-12,16,18H,2H2,1H3.
What are the key properties of 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one?
1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one has a molecular weight of 279.34 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-diphenyl-4,5-dihydro-1,2-oxazol-5-yl)propan-1-one is sourced from PubChem (CID 563444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).