4-[(3-methylphenyl)methyl]-1,4-oxazine

C12H13NO — CID 130223742

IUPAC4-[(3-methylphenyl)methyl]-1,4-oxazine
SMILESCc1cccc(CN2C=COC=C2)c1
InChIInChI=1S/C12H13NO/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-9H,10H2,1H3
InChIKeyWDRZKAPZRMLKOX-UHFFFAOYSA-N
MW187.24 g/mol
LogP2.77
Rot. Bonds2

About 4-[(3-methylphenyl)methyl]-1,4-oxazine

4-[(3-methylphenyl)methyl]-1,4-oxazine (PubChem CID 130223742) has the molecular formula C12H13NO and a molecular weight of 187.24 g/mol. Its IUPAC name is 4-[(3-methylphenyl)methyl]-1,4-oxazine.

Molecular Properties

Compound Name4-[(3-methylphenyl)methyl]-1,4-oxazine
PubChem CID130223742
Molecular FormulaC12H13NO
Molecular Weight187.24 g/mol
Exact Mass187.10
IUPAC Name4-[(3-methylphenyl)methyl]-1,4-oxazine
SMILESCc1cccc(CN2C=COC=C2)c1
InChIInChI=1S/C12H13NO/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-9H,10H2,1H3
InChIKeyWDRZKAPZRMLKOX-UHFFFAOYSA-N
XLogP2.77
TPSA12.47 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.24
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,2,6,6-tetramethyl-4-[(3-methylphenyl)methyl]-1,4,2,6-oxazadisilinane
CID 5146878
1-[(3-methylphenyl)methyl]piperazine;dihydrochloride
CID 3014358
1-[(3-methylphenyl)methyl]pyrrole-2,5-dione
CID 22989002
5-chloro-1-[(3-methylphenyl)methyl]pyrazole
CID 83241528
1-[(3-methylphenyl)methyl]-4-propan-2-ylpiperidine
CID 153136361
ethane;bis(1-ethyl-3-methylbenzene)
CID 142878274
CID 59201849
CID 59201849
methane;9-[(3-methylphenyl)methyl]carbazole
CID 159308792
3-[(3-methylphenyl)methyl]-3-azabicyclo[3.1.0]hexane
CID 171523193
2-(3-methylphenyl)ethanamine;hydrochloride
CID 47003273
3-fluoro-1-[(3-methylphenyl)methyl]pyridin-2-one
CID 174323463
2-[(3-methylphenyl)methyl]-3,4-dihydropyrazol-5-amine
CID 15916607

Frequently Asked Questions

What is the IUPAC name of 4-[(3-methylphenyl)methyl]-1,4-oxazine?
The IUPAC name of 4-[(3-methylphenyl)methyl]-1,4-oxazine (CID 130223742) is 4-[(3-methylphenyl)methyl]-1,4-oxazine.
What is the SMILES notation for 4-[(3-methylphenyl)methyl]-1,4-oxazine?
The canonical SMILES for 4-[(3-methylphenyl)methyl]-1,4-oxazine is Cc1cccc(CN2C=COC=C2)c1.
What is the InChIKey of 4-[(3-methylphenyl)methyl]-1,4-oxazine?
The InChIKey is WDRZKAPZRMLKOX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13NO/c1-11-3-2-4-12(9-11)10-13-5-7-14-8-6-13/h2-9H,10H2,1H3.
What are the key properties of 4-[(3-methylphenyl)methyl]-1,4-oxazine?
4-[(3-methylphenyl)methyl]-1,4-oxazine has a molecular weight of 187.24 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-methylphenyl)methyl]-1,4-oxazine is sourced from PubChem (CID 130223742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).