(2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone

C18H19NO2 — CID 110739817

IUPAC(2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone
SMILESCC1OCCCN1C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H19NO2/c1-14-19(11-6-12-21-14)18(20)17-10-5-9-16(13-17)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3
InChIKeyHSBADAHKYUJAFU-UHFFFAOYSA-N
MW281.36 g/mol
LogP3.56
Rot. Bonds2

About (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone

(2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone (PubChem CID 110739817) has the molecular formula C18H19NO2 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone.

Molecular Properties

Compound Name(2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone
PubChem CID110739817
Molecular FormulaC18H19NO2
Molecular Weight281.36 g/mol
Exact Mass281.14
IUPAC Name(2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone
SMILESCC1OCCCN1C(=O)c1cccc(-c2ccccc2)c1
InChIInChI=1S/C18H19NO2/c1-14-19(11-6-12-21-14)18(20)17-10-5-9-16(13-17)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3
InChIKeyHSBADAHKYUJAFU-UHFFFAOYSA-N
XLogP3.56
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-methylmorpholin-4-yl)-(3-phenylphenyl)methanone
CID 110292242
1-[4-(3-phenylbenzoyl)piperazin-1-yl]ethanone
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(3,4-dimethylphenyl)-(2-methyl-1,3-oxazolidin-3-yl)methanone
CID 110740144
(2S)-N-(5-methyl-1,2-oxazol-3-yl)-1-(3-phenylbenzoyl)pyrrolidine-2-carboxamide
CID 110284825
[(2S)-2-methylpyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 174598087
3-(2-methyl-1,4-oxazepane-4-carbonyl)benzoic acid
CID 62967125
(1-methylpyrrol-3-yl)-[4-(3-phenylbenzoyl)piperazin-1-yl]methanone
CID 110803225
4-(3-phenylbenzoyl)-3-propan-2-ylpiperazin-2-one
CID 110873351
(3-hydroxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110868609
(4-methoxypiperidin-1-yl)-(3-phenylphenyl)methanone
CID 110725293
1-[3-(4-hydroxyphenyl)benzoyl]pyrrolidine-2-carbaldehyde
CID 146357901
[(4aR,8aS)-4-hydroxy-4-phenyl-2,3,4a,5,6,7,8,8a-octahydroquinolin-1-yl]-(3-phenylphenyl)methanone
CID 140549023

Frequently Asked Questions

What is the IUPAC name of (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone?
The IUPAC name of (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone (CID 110739817) is (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone.
What is the SMILES notation for (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone?
The canonical SMILES for (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone is CC1OCCCN1C(=O)c1cccc(-c2ccccc2)c1.
What is the InChIKey of (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone?
The InChIKey is HSBADAHKYUJAFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO2/c1-14-19(11-6-12-21-14)18(20)17-10-5-9-16(13-17)15-7-3-2-4-8-15/h2-5,7-10,13-14H,6,11-12H2,1H3.
What are the key properties of (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone?
(2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone has a molecular weight of 281.36 g/mol, XLogP of 3.56, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methyl-1,3-oxazinan-3-yl)-(3-phenylphenyl)methanone is sourced from PubChem (CID 110739817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).