(4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

C18H20N2O3 — CID 136567091

IUPAC(4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1COCCC1c1ccccc1
InChIInChI=1S/C18H20N2O3/c21-18(17-14-8-4-5-9-16(14)23-19-17)20-12-22-11-10-15(20)13-6-2-1-3-7-13/h1-3,6-7,15H,4-5,8-12H2
InChIKeyBYWOSLRBILLALM-UHFFFAOYSA-N
MW312.37 g/mol
LogP3.11
Rot. Bonds2

About (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone

(4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (PubChem CID 136567091) has the molecular formula C18H20N2O3 and a molecular weight of 312.37 g/mol. Its IUPAC name is (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.

Molecular Properties

Compound Name(4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
PubChem CID136567091
Molecular FormulaC18H20N2O3
Molecular Weight312.37 g/mol
Exact Mass312.15
IUPAC Name(4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
SMILESO=C(c1noc2c1CCCC2)N1COCCC1c1ccccc1
InChIInChI=1S/C18H20N2O3/c21-18(17-14-8-4-5-9-16(14)23-19-17)20-12-22-11-10-15(20)13-6-2-1-3-7-13/h1-3,6-7,15H,4-5,8-12H2
InChIKeyBYWOSLRBILLALM-UHFFFAOYSA-N
XLogP3.11
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone with MolForge

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Related Compounds

[(2S)-2-(2,3-dimethylphenyl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124571225
N-methyl-N-phenyl-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 5079103
1-(furan-2-yl)-2-[(3S)-4-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)morpholin-3-yl]ethanone
CID 97244053
[(2S)-2-cyclopentylpyrrolidin-1-yl]-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 124572810
[(2S)-2-pyrimidin-4-ylpyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 124949721
[2-(4-ethylphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120740490
[3-(4-methylphenyl)-8-azabicyclo[3.2.1]octan-8-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110219458
[2-(2-methylpyrimidin-4-yl)pyrrolidin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone
CID 110103818
(4-benzhydrylpiperazin-1-yl)-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazol-3-yl)methanone
CID 3239471
[2-(2-methoxyphenyl)piperazin-1-yl]-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone;hydrochloride
CID 120733590
(2R)-2-[(3S)-4-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)morpholin-3-yl]cyclohexan-1-one
CID 99702798
3-[1-(5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carbonyl)piperidin-2-yl]propanoic acid
CID 120536810

Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The IUPAC name of (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone (CID 136567091) is (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone.
What is the SMILES notation for (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The canonical SMILES for (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is O=C(c1noc2c1CCCC2)N1COCCC1c1ccccc1.
What is the InChIKey of (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
The InChIKey is BYWOSLRBILLALM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O3/c21-18(17-14-8-4-5-9-16(14)23-19-17)20-12-22-11-10-15(20)13-6-2-1-3-7-13/h1-3,6-7,15H,4-5,8-12H2.
What are the key properties of (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone?
(4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone has a molecular weight of 312.37 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1,3-oxazinan-3-yl)-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-yl)methanone is sourced from PubChem (CID 136567091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).