(4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one

C14H18N2O2 — CID 175660521

IUPAC(4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
SMILESC[C@@]12CCNC[C@H]1N(c1ccccc1)C(=O)CO2
InChIInChI=1S/C14H18N2O2/c1-14-7-8-15-9-12(14)16(13(17)10-18-14)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3/t12-,14-/m1/s1
InChIKeyMCZNCHYHSHXQCG-TZMCWYRMSA-N
MW246.31 g/mol
LogP1.17
Rot. Bonds1

About (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one

(4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one (PubChem CID 175660521) has the molecular formula C14H18N2O2 and a molecular weight of 246.31 g/mol. Its IUPAC name is (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one.

Molecular Properties

Compound Name(4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
PubChem CID175660521
Molecular FormulaC14H18N2O2
Molecular Weight246.31 g/mol
Exact Mass246.14
IUPAC Name(4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one
SMILESC[C@@]12CCNC[C@H]1N(c1ccccc1)C(=O)CO2
InChIInChI=1S/C14H18N2O2/c1-14-7-8-15-9-12(14)16(13(17)10-18-14)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3/t12-,14-/m1/s1
InChIKeyMCZNCHYHSHXQCG-TZMCWYRMSA-N
XLogP1.17
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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CID 175657190
4-(2-hydroxyphenyl)-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
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(3aR,7aS)-1-methylsulfonyl-3a-phenyl-3,4,5,6,7,7a-hexahydro-2H-pyrrolo[2,3-c]pyridine
CID 124783587
(3aR,7aS)-3-methyl-1-phenyl-3a,4,5,6,7,7a-hexahydroimidazo[4,5-c]pyridin-2-one;hydrochloride
CID 118994261
3-methyl-7-oxo-4-phenyl-1,4-diazabicyclo[3.2.0]hept-2-ene-2-carboxylic acid
CID 56619589
(3aS,7aR)-6,7a-dimethyl-3-phenyl-3a,4-dihydro-1,3-benzoxazole-2,5-dione
CID 71663800
(4-methylpiperidin-4-yl)-(2-phenylpyrazol-3-yl)methanone
CID 107331635
(4aR,7aS)-6-methylsulfonyl-4-phenyl-4a,5,7,7a-tetrahydropyrrolo[3,4-b][1,4]oxazin-3-one
CID 56775198
2-phenyl-3-pyridin-4-yl-2,8-diazaspiro[4.5]decan-1-one
CID 175023011
(4S)-3,4-dimethyl-4-phenylpiperidine
CID 69326944
4-[(3-fluorophenyl)methyl]-6-methyl-6-pyrrolidin-3-ylmorpholin-3-one
CID 115067984

Frequently Asked Questions

What is the IUPAC name of (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one?
The IUPAC name of (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one (CID 175660521) is (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one.
What is the SMILES notation for (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one?
The canonical SMILES for (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one is C[C@@]12CCNC[C@H]1N(c1ccccc1)C(=O)CO2.
What is the InChIKey of (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one?
The InChIKey is MCZNCHYHSHXQCG-TZMCWYRMSA-N. The full InChI is InChI=1S/C14H18N2O2/c1-14-7-8-15-9-12(14)16(13(17)10-18-14)11-5-3-2-4-6-11/h2-6,12,15H,7-10H2,1H3/t12-,14-/m1/s1.
What are the key properties of (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one?
(4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one has a molecular weight of 246.31 g/mol, XLogP of 1.17, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4aR,8aR)-8a-methyl-4-phenyl-5,6,7,8-tetrahydro-4aH-pyrido[4,3-b][1,4]oxazin-3-one is sourced from PubChem (CID 175660521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).