(2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone

C24H21NO3 — CID 69231338

IUPAC(2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1C=COC(C2=CC=CCC2)=C1
InChIInChI=1S/C24H21NO3/c26-24(25-15-16-27-23(17-25)20-9-5-2-6-10-20)21-11-13-22(14-12-21)28-18-19-7-3-1-4-8-19/h1-5,7-9,11-17H,6,10,18H2
InChIKeyOSGYUMDQFQRKKE-UHFFFAOYSA-N
MW371.44 g/mol
LogP5.33
Rot. Bonds5

About (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone

(2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone (PubChem CID 69231338) has the molecular formula C24H21NO3 and a molecular weight of 371.44 g/mol. Its IUPAC name is (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone.

Molecular Properties

Compound Name(2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone
PubChem CID69231338
Molecular FormulaC24H21NO3
Molecular Weight371.44 g/mol
Exact Mass371.15
IUPAC Name(2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone
SMILESO=C(c1ccc(OCc2ccccc2)cc1)N1C=COC(C2=CC=CCC2)=C1
InChIInChI=1S/C24H21NO3/c26-24(25-15-16-27-23(17-25)20-9-5-2-6-10-20)21-11-13-22(14-12-21)28-18-19-7-3-1-4-8-19/h1-5,7-9,11-17H,6,10,18H2
InChIKeyOSGYUMDQFQRKKE-UHFFFAOYSA-N
XLogP5.33
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500371.44
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

azepan-1-yl-(4-phenylmethoxyphenyl)methanone
CID 4958376
[2-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-oxazin-4-yl]-(3,5-dichloro-4-phenylmethoxyphenyl)methanethione
CID 90729424
4-phenylmethoxybenzoyl fluoride
CID 154719359
4-phenylmethoxybenzoic acid
CID 68896574
[2-(cyclohexa-1,3-dien-1-ylmethyl)-1,4-oxazin-4-yl]-(4-nitrophenyl)methanone
CID 90898057
2-[4-(4-phenylmethoxybenzoyl)thiomorpholin-3-yl]acetic acid
CID 119210082
4-(4-phenylmethoxybenzoyl)benzoic acid
CID 11616925
cyclopropyl-(4-phenylmethoxyphenyl)methanone
CID 6482534
azepan-1-yl-[4-(phenoxymethyl)phenyl]methanone
CID 55334830
N-(2-aminoethyl)-4-phenylmethoxybenzamide
CID 13064036
4-(4-phenylmethoxybenzoyl)morpholine-3-carboxylic acid
CID 119215842
[(3aR,6aS)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrol-5-yl]-(4-phenylmethoxyphenyl)methanone;hydrochloride
CID 120656242

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone?
The IUPAC name of (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone (CID 69231338) is (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone.
What is the SMILES notation for (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone?
The canonical SMILES for (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone is O=C(c1ccc(OCc2ccccc2)cc1)N1C=COC(C2=CC=CCC2)=C1.
What is the InChIKey of (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone?
The InChIKey is OSGYUMDQFQRKKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21NO3/c26-24(25-15-16-27-23(17-25)20-9-5-2-6-10-20)21-11-13-22(14-12-21)28-18-19-7-3-1-4-8-19/h1-5,7-9,11-17H,6,10,18H2.
What are the key properties of (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone?
(2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone has a molecular weight of 371.44 g/mol, XLogP of 5.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexa-1,3-dien-1-yl-1,4-oxazin-4-yl)-(4-phenylmethoxyphenyl)methanone is sourced from PubChem (CID 69231338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).