5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

C14H17NO2 — CID 135035659

IUPAC5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)CC1CN=C(c2ccccc2)OC1=O
InChIInChI=1S/C14H17NO2/c1-10(2)8-12-9-15-13(17-14(12)16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyLSVZULNAOWTBEZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.65
Rot. Bonds3

About 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one

5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (PubChem CID 135035659) has the molecular formula C14H17NO2 and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.

Molecular Properties

Compound Name5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
PubChem CID135035659
Molecular FormulaC14H17NO2
Molecular Weight231.30 g/mol
Exact Mass231.13
IUPAC Name5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one
SMILESCC(C)CC1CN=C(c2ccccc2)OC1=O
InChIInChI=1S/C14H17NO2/c1-10(2)8-12-9-15-13(17-14(12)16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3
InChIKeyLSVZULNAOWTBEZ-UHFFFAOYSA-N
XLogP2.65
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The IUPAC name of 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one (CID 135035659) is 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one.
What is the SMILES notation for 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The canonical SMILES for 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is CC(C)CC1CN=C(c2ccccc2)OC1=O.
What is the InChIKey of 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
The InChIKey is LSVZULNAOWTBEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)8-12-9-15-13(17-14(12)16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3.
What are the key properties of 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one?
5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one has a molecular weight of 231.30 g/mol, XLogP of 2.65, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-2-phenyl-4,5-dihydro-1,3-oxazin-6-one is sourced from PubChem (CID 135035659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).