1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine

C14H12N4O2 — CID 138383072

IUPAC1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
SMILESCc1cc(-c2nnc3n2Cc2ccccc2OC3)on1
InChIInChI=1S/C14H12N4O2/c1-9-6-12(20-17-9)14-16-15-13-8-19-11-5-3-2-4-10(11)7-18(13)14/h2-6H,7-8H2,1H3
InChIKeyBWMOBCZRXJVJQD-UHFFFAOYSA-N
MW268.28 g/mol
LogP2.18
Rot. Bonds1

About 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine

1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine (PubChem CID 138383072) has the molecular formula C14H12N4O2 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine.

Molecular Properties

Compound Name1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
PubChem CID138383072
Molecular FormulaC14H12N4O2
Molecular Weight268.28 g/mol
Exact Mass268.10
IUPAC Name1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
SMILESCc1cc(-c2nnc3n2Cc2ccccc2OC3)on1
InChIInChI=1S/C14H12N4O2/c1-9-6-12(20-17-9)14-16-15-13-8-19-11-5-3-2-4-10(11)7-18(13)14/h2-6H,7-8H2,1H3
InChIKeyBWMOBCZRXJVJQD-UHFFFAOYSA-N
XLogP2.18
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine with MolForge

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Related Compounds

1-methyl-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 164690562
1-(1,3-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138381403
1-(1-methylimidazol-2-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138377665
1-(3,4,5-trimethoxyphenyl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 155910154
1-[(2S)-pyrrolidin-2-yl]-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine
CID 138379011
1-(2,5-dimethylpyrazol-3-yl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
CID 138810152
3-methyl-5-(1-methylpyrrol-2-yl)-1,2-oxazole
CID 45099227
3-methyl-5-(2-phenylphenyl)-1,2-oxazole
CID 123870011
11-methyl-10,12-dihydrobenzo[b][1,5]benzoxazocine
CID 102106575
1-methyl-5,10-dihydro-4H-[1,2,4]triazolo[4,3-b][2]benzazepine
CID 157014235
7-chloro-4-[5-(3-methyl-1,2-oxazol-5-yl)furan-2-yl]sulfonyl-3,5-dihydro-2H-1,4-benzoxazepine
CID 131915054
3-(3-methyl-1,2-oxazol-5-yl)-5H-indazolo[2,3-a][3,1]benzoxazine
CID 23640909

Frequently Asked Questions

What is the IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
The IUPAC name of 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine (CID 138383072) is 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine.
What is the SMILES notation for 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
The canonical SMILES for 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine is Cc1cc(-c2nnc3n2Cc2ccccc2OC3)on1.
What is the InChIKey of 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
The InChIKey is BWMOBCZRXJVJQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N4O2/c1-9-6-12(20-17-9)14-16-15-13-8-19-11-5-3-2-4-10(11)7-18(13)14/h2-6H,7-8H2,1H3.
What are the key properties of 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine?
1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine has a molecular weight of 268.28 g/mol, XLogP of 2.18, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methyl-1,2-oxazol-5-yl)-4,10-dihydro-[1,2,4]triazolo[3,4-c][1,4]benzoxazepine is sourced from PubChem (CID 138383072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).