(3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

C21H20N2O — CID 102380136

IUPAC(3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESc1ccc(C[C@H]2COc3cccnc3N2Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c1-3-8-17(9-4-1)14-19-16-24-20-12-7-13-22-21(20)23(19)15-18-10-5-2-6-11-18/h1-13,19H,14-16H2/t19-/m0/s1
InChIKeyYNXNLUYZKRXTOL-IBGZPJMESA-N
MW316.40 g/mol
LogP4.09
Rot. Bonds4

About (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine

(3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 102380136) has the molecular formula C21H20N2O and a molecular weight of 316.40 g/mol. Its IUPAC name is (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name(3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID102380136
Molecular FormulaC21H20N2O
Molecular Weight316.40 g/mol
Exact Mass316.16
IUPAC Name(3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESc1ccc(C[C@H]2COc3cccnc3N2Cc2ccccc2)cc1
InChIInChI=1S/C21H20N2O/c1-3-8-17(9-4-1)14-19-16-24-20-12-7-13-22-21(20)23(19)15-18-10-5-2-6-11-18/h1-13,19H,14-16H2/t19-/m0/s1
InChIKeyYNXNLUYZKRXTOL-IBGZPJMESA-N
XLogP4.09
TPSA25.36 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 102380136) is (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is c1ccc(C[C@H]2COc3cccnc3N2Cc2ccccc2)cc1.
What is the InChIKey of (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is YNXNLUYZKRXTOL-IBGZPJMESA-N. The full InChI is InChI=1S/C21H20N2O/c1-3-8-17(9-4-1)14-19-16-24-20-12-7-13-22-21(20)23(19)15-18-10-5-2-6-11-18/h1-13,19H,14-16H2/t19-/m0/s1.
What are the key properties of (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine?
(3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 316.40 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3,4-dibenzyl-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 102380136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).