[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane

C19H25NO2 — CID 143489564

IUPAC[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane
SMILESC=CC1=C(C=C)N(C(=O)c2cccc(C)c2)CCO1.CCC
InChIInChI=1S/C16H17NO2.C3H8/c1-4-14-15(5-2)19-10-9-17(14)16(18)13-8-6-7-12(3)11-13;1-3-2/h4-8,11H,1-2,9-10H2,3H3;3H2,1-2H3
InChIKeyZIJFBUBYRNBOQD-UHFFFAOYSA-N
MW299.41 g/mol
LogP4.47
Rot. Bonds3

About [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane

[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane (PubChem CID 143489564) has the molecular formula C19H25NO2 and a molecular weight of 299.41 g/mol. Its IUPAC name is [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane.

Molecular Properties

Compound Name[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane
PubChem CID143489564
Molecular FormulaC19H25NO2
Molecular Weight299.41 g/mol
Exact Mass299.19
IUPAC Name[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane
SMILESC=CC1=C(C=C)N(C(=O)c2cccc(C)c2)CCO1.CCC
InChIInChI=1S/C16H17NO2.C3H8/c1-4-14-15(5-2)19-10-9-17(14)16(18)13-8-6-7-12(3)11-13;1-3-2/h4-8,11H,1-2,9-10H2,3H3;3H2,1-2H3
InChIKeyZIJFBUBYRNBOQD-UHFFFAOYSA-N
XLogP4.47
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.41
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(7-bromo-2,3-dihydro-1,4-benzoxazin-4-yl)-(3-methylphenyl)methanone
CID 84609317
ethane;(4-ethylpiperazin-1-yl)-(3-methylphenyl)methanone
CID 143519775
azocan-1-yl-(3-methylphenyl)methanone
CID 3308040
[4-(3-methylbenzoyl)piperazin-1-yl]-phenylmethanone
CID 793254
[3-(2,2-dimethylpropyl)phenyl]-(7-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)methanone
CID 118372464
[2-(2-hydroxypropyl)piperidin-1-yl]-(3-methylphenyl)methanone
CID 79549123
N-(3-methylphenyl)-2-oxo-1,3-oxazolidine-3-carboxamide
CID 71675462
[2-(6-methyl-2,3-dihydro-1,4-benzoxazin-4-yl)-2-oxoethyl] 3-methylbenzoate
CID 46860548
1-(3-methylphenyl)but-3-en-1-one
CID 61380184
2,3-dihydro-1-benzofuran-5-yl-[4-(3-methylbenzoyl)piperazin-1-yl]methanone
CID 110802210
3,4-dihydro-2H-quinolin-1-yl-(3-methylphenyl)methanone
CID 669077
3-methylbenzoic acid
CID 7418

Frequently Asked Questions

What is the IUPAC name of [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane?
The IUPAC name of [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane (CID 143489564) is [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane.
What is the SMILES notation for [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane?
The canonical SMILES for [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane is C=CC1=C(C=C)N(C(=O)c2cccc(C)c2)CCO1.CCC.
What is the InChIKey of [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane?
The InChIKey is ZIJFBUBYRNBOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO2.C3H8/c1-4-14-15(5-2)19-10-9-17(14)16(18)13-8-6-7-12(3)11-13;1-3-2/h4-8,11H,1-2,9-10H2,3H3;3H2,1-2H3.
What are the key properties of [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane?
[5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane has a molecular weight of 299.41 g/mol, XLogP of 4.47, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [5,6-bis(ethenyl)-2,3-dihydro-1,4-oxazin-4-yl]-(3-methylphenyl)methanone;propane is sourced from PubChem (CID 143489564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).