(5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one

C14H17NO2 — CID 11817110

IUPAC(5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one
SMILESCC(C)[C@@]1(C)N=C(c2ccccc2)COC1=O
InChIInChI=1S/C14H17NO2/c1-10(2)14(3)13(16)17-9-12(15-14)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t14-/m1/s1
InChIKeyKVCPCLHNKXEODB-CQSZACIVSA-N
MW231.29 g/mol
LogP2.45
Rot. Bonds2

About (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one

(5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one (PubChem CID 11817110) has the molecular formula C14H17NO2 and a molecular weight of 231.29 g/mol. Its IUPAC name is (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one.

Molecular Properties

Compound Name(5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one
PubChem CID11817110
Molecular FormulaC14H17NO2
Molecular Weight231.29 g/mol
Exact Mass231.13
IUPAC Name(5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one
SMILESCC(C)[C@@]1(C)N=C(c2ccccc2)COC1=O
InChIInChI=1S/C14H17NO2/c1-10(2)14(3)13(16)17-9-12(15-14)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t14-/m1/s1
InChIKeyKVCPCLHNKXEODB-CQSZACIVSA-N
XLogP2.45
TPSA38.66 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.29
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-3-phenyl-2-propan-2-yl-2,5-dihydro-1,4-oxazin-6-one
CID 11042179
(2S)-5-methylidene-3-phenyl-2-propan-2-yl-2H-1,4-oxazin-6-one
CID 11746414
(2R,3S,6S)-2-ethyl-5-phenyl-6-propan-2-yl-7-oxa-4-azaspiro[2.5]oct-4-en-8-one
CID 11821723
5,5-Dimethyl-3-phenyl-5,6-dihydro-2H-1,4-oxazin-2-on
CID 121015119
Ethyl 2-((diphenylmethylene)amino)-2-ethylbutanoate
CID 10805871
Ethyl 3,3-dimethyl-3,4-dihydroisoquinoline-1-carboxylate
CID 102279985
Ethyl 2-ethylimino-2-phenylacetate
CID 125476677
5-Phenyl-2,3-dihydro-1,4-oxazin-6-one
CID 135085831
Acetophenone oxime acetate
CID 141748069
5-(3-fluorophenyl)-3,3-dimethyl-2H-1,4-oxazin-6-one
CID 121003074
Ethyl 1-(benzhydrylideneamino)cyclopropane-1-carboxylate
CID 11197139
3-Phenyl-2,5-dihydro-1,4-oxazin-6-one
CID 15328619

Frequently Asked Questions

What is the IUPAC name of (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one?
The IUPAC name of (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one (CID 11817110) is (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one.
What is the SMILES notation for (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one?
The canonical SMILES for (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one is CC(C)[C@@]1(C)N=C(c2ccccc2)COC1=O.
What is the InChIKey of (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one?
The InChIKey is KVCPCLHNKXEODB-CQSZACIVSA-N. The full InChI is InChI=1S/C14H17NO2/c1-10(2)14(3)13(16)17-9-12(15-14)11-7-5-4-6-8-11/h4-8,10H,9H2,1-3H3/t14-/m1/s1.
What are the key properties of (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one?
(5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one has a molecular weight of 231.29 g/mol, XLogP of 2.45, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-methyl-3-phenyl-5-propan-2-yl-2H-1,4-oxazin-6-one is sourced from PubChem (CID 11817110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).