2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine

C16H19N3O — CID 24825527

IUPAC2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine
SMILESCC1(C)CN=C(c2cccc(Cc3cnc[nH]3)c2)OC1
InChIInChI=1S/C16H19N3O/c1-16(2)9-18-15(20-10-16)13-5-3-4-12(6-13)7-14-8-17-11-19-14/h3-6,8,11H,7,9-10H2,1-2H3,(H,17,19)
InChIKeyZPBNADIRZNHTBQ-UHFFFAOYSA-N
MW269.35 g/mol
LogP2.80
Rot. Bonds3

About 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine

2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine (PubChem CID 24825527) has the molecular formula C16H19N3O and a molecular weight of 269.35 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine.

Molecular Properties

Compound Name2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine
PubChem CID24825527
Molecular FormulaC16H19N3O
Molecular Weight269.35 g/mol
Exact Mass269.15
IUPAC Name2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine
SMILESCC1(C)CN=C(c2cccc(Cc3cnc[nH]3)c2)OC1
InChIInChI=1S/C16H19N3O/c1-16(2)9-18-15(20-10-16)13-5-3-4-12(6-13)7-14-8-17-11-19-14/h3-6,8,11H,7,9-10H2,1-2H3,(H,17,19)
InChIKeyZPBNADIRZNHTBQ-UHFFFAOYSA-N
XLogP2.80
TPSA50.27 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.35
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine?
The IUPAC name of 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine (CID 24825527) is 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine.
What is the SMILES notation for 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine?
The canonical SMILES for 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine is CC1(C)CN=C(c2cccc(Cc3cnc[nH]3)c2)OC1.
What is the InChIKey of 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine?
The InChIKey is ZPBNADIRZNHTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O/c1-16(2)9-18-15(20-10-16)13-5-3-4-12(6-13)7-14-8-17-11-19-14/h3-6,8,11H,7,9-10H2,1-2H3,(H,17,19).
What are the key properties of 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine?
2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine has a molecular weight of 269.35 g/mol, XLogP of 2.80, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1H-imidazol-5-ylmethyl)phenyl]-5,5-dimethyl-4,6-dihydro-1,3-oxazine is sourced from PubChem (CID 24825527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).