1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine

C14H14N2O — CID 141108565

IUPAC1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine
SMILESc1ccc(CN2COCc3cccnc32)cc1
InChIInChI=1S/C14H14N2O/c1-2-5-12(6-3-1)9-16-11-17-10-13-7-4-8-15-14(13)16/h1-8H,9-11H2
InChIKeyXOFLYAFDOIBWKG-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.58
Rot. Bonds2

About 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine

1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine (PubChem CID 141108565) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine.

Molecular Properties

Compound Name1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine
PubChem CID141108565
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Name1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine
SMILESc1ccc(CN2COCc3cccnc32)cc1
InChIInChI=1S/C14H14N2O/c1-2-5-12(6-3-1)9-16-11-17-10-13-7-4-8-15-14(13)16/h1-8H,9-11H2
InChIKeyXOFLYAFDOIBWKG-UHFFFAOYSA-N
XLogP2.58
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(2-methyl-1,3-thiazol-4-yl)methyl]-2,4-dihydropyrido[2,3-d][1,3]oxazine
CID 141092080
4-(2-phenylethyl)-1-(pyridin-4-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97410231
4-benzyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212017
4-benzyl-2,2-dimethyl-3H-pyrido[3,2-b][1,4]oxazine
CID 13212020
(3S)-1-benzyl-3-methyl-3-(thiophen-2-ylmethyl)-2H-pyrrolo[2,3-b]pyridine
CID 162398609
11-benzyl-1,3,11-triazatricyclo[7.4.0.02,7]trideca-2(7),3,5-triene
CID 67154993
(3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 102380136
4-(oxan-4-yl)-1-(pyridin-3-ylmethyl)-3,5-dihydro-2H-pyrido[2,3-e][1,4]diazepine
CID 97469034
1-benzyl-4-(3-methyl-2-pyridinyl)piperazine
CID 130558033
3-benzyl-1-(1-cyclohexylpiperidin-4-yl)-2H-imidazo[4,5-b]pyridine
CID 70551890
(3S)-1-benzyl-3-[(3-fluorophenyl)methyl]-3-methyl-2H-pyrrolo[2,3-b]pyridine
CID 162398608
4-[(1-benzylimidazol-2-yl)methyl]pyrido[3,2-b][1,4]oxazin-3-one
CID 72890647

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine?
The IUPAC name of 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine (CID 141108565) is 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine.
What is the SMILES notation for 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine?
The canonical SMILES for 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine is c1ccc(CN2COCc3cccnc32)cc1.
What is the InChIKey of 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine?
The InChIKey is XOFLYAFDOIBWKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-2-5-12(6-3-1)9-16-11-17-10-13-7-4-8-15-14(13)16/h1-8H,9-11H2.
What are the key properties of 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine?
1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine has a molecular weight of 226.28 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-2,4-dihydropyrido[2,3-d][1,3]oxazine is sourced from PubChem (CID 141108565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).