(2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

C23H22N6O — CID 166638231

IUPAC(2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCC[C@H]1CN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ncccc2O1
InChIInChI=1S/C23H22N6O/c1-2-18-15-29(23-21(30-18)8-5-13-24-23)14-16-9-11-17(12-10-16)19-6-3-4-7-20(19)22-25-27-28-26-22/h3-13,18H,2,14-15H2,1H3,(H,25,26,27,28)/t18-/m0/s1
InChIKeyFPJQYVJROWEOEU-SFHVURJKSA-N
MW398.47 g/mol
LogP4.11
Rot. Bonds5

About (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine

(2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (PubChem CID 166638231) has the molecular formula C23H22N6O and a molecular weight of 398.47 g/mol. Its IUPAC name is (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.

Molecular Properties

Compound Name(2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
PubChem CID166638231
Molecular FormulaC23H22N6O
Molecular Weight398.47 g/mol
Exact Mass398.19
IUPAC Name(2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine
SMILESCC[C@H]1CN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ncccc2O1
InChIInChI=1S/C23H22N6O/c1-2-18-15-29(23-21(30-18)8-5-13-24-23)14-16-9-11-17(12-10-16)19-6-3-4-7-20(19)22-25-27-28-26-22/h3-13,18H,2,14-15H2,1H3,(H,25,26,27,28)/t18-/m0/s1
InChIKeyFPJQYVJROWEOEU-SFHVURJKSA-N
XLogP4.11
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.47
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-benzyl-2-methyl-2,3-dihydropyrido[3,2-b][1,4]oxazine
CID 13212017
2-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67942959
2,4-diethyl-8-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-6,7-dihydro-5H-pyrido[2,3-d]pyrimidine;hydrochloride
CID 139618457
7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 139664861
2-propyl-1-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 22418019
7-methyl-2-propyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine
CID 67741206
N-propyl-N-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]pyrimidin-2-amine
CID 15658030
2-phenyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 67943976
5-methyl-N-pentyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-1,3-thiazolidin-2-imine
CID 57000351
7-methyl-2-(2-methylpropyl)-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2H-imidazo[4,5-b]pyridin-1-amine
CID 67740958
1,4-dibutyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazolidin-2-one
CID 70234168
2-butyl-7-methyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazo[4,5-b]pyridine
CID 19010870

Frequently Asked Questions

What is the IUPAC name of (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The IUPAC name of (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine (CID 166638231) is (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine.
What is the SMILES notation for (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The canonical SMILES for (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is CC[C@H]1CN(Cc2ccc(-c3ccccc3-c3nn[nH]n3)cc2)c2ncccc2O1.
What is the InChIKey of (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
The InChIKey is FPJQYVJROWEOEU-SFHVURJKSA-N. The full InChI is InChI=1S/C23H22N6O/c1-2-18-15-29(23-21(30-18)8-5-13-24-23)14-16-9-11-17(12-10-16)19-6-3-4-7-20(19)22-25-27-28-26-22/h3-13,18H,2,14-15H2,1H3,(H,25,26,27,28)/t18-/m0/s1.
What are the key properties of (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine?
(2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine has a molecular weight of 398.47 g/mol, XLogP of 4.11, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-ethyl-4-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]-2,3-dihydropyrido[3,2-b][1,4]oxazine is sourced from PubChem (CID 166638231), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).