2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine

C8H12N2O — CID 84649649

IUPAC2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine
SMILESCc1nc2c(o1)CNCCC2
InChIInChI=1S/C8H12N2O/c1-6-10-7-3-2-4-9-5-8(7)11-6/h9H,2-5H2,1H3
InChIKeyWYPIEGPRYTYSGI-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.02
Rot. Bonds

About 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine

2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine (PubChem CID 84649649) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine.

Molecular Properties

Compound Name2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine
PubChem CID84649649
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine
SMILESCc1nc2c(o1)CNCCC2
InChIInChI=1S/C8H12N2O/c1-6-10-7-3-2-4-9-5-8(7)11-6/h9H,2-5H2,1H3
InChIKeyWYPIEGPRYTYSGI-UHFFFAOYSA-N
XLogP1.02
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2,6-dimethyl-4,5,6,7-tetrahydro-1,3-benzoxazole
CID 12575563
(2-methyl-4,5,6,7-tetrahydro-1,3-benzoxazol-6-yl)methanamine
CID 82276910
2-(2,4,5-trimethylphenyl)sulfonyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
CID 141409789
2-methyl-6,7-dihydro-5H-thiopyrano[2,3-d][1,3]oxazole
CID 130251140
6-ethyl-2-methyl-4,5,6,7,8,9-hexahydrocycloocta[d][1,3]oxazole
CID 123960245
5,6,7,8-tetrahydro-4H-[1,2]oxazolo[5,4-c]azepine
CID 68694121
11-methyl-2,3,4,5-tetrahydro-1H-azepino[4,3-b]quinoline
CID 3044001
(4R)-2,4-dimethyl-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
CID 124505716
2-(3-methoxyphenyl)-4,5,6,7-tetrahydro-[1,3]oxazolo[5,4-c]pyridine
CID 66706175
methyl 5,6,7,8-tetrahydro-4H-[1,3]thiazolo[5,4-c]azepine-2-carboxylate
CID 130141058
2,4-dimethyl-5,6,7,8,9,10,11,12-octahydropyrimido[5,4-e]azecine;ethane
CID 178044254
6,9-dimethyl-2,3,4,5-tetrahydro-1H-2-benzazepine
CID 75464980

Frequently Asked Questions

What is the IUPAC name of 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine?
The IUPAC name of 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine (CID 84649649) is 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine.
What is the SMILES notation for 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine?
The canonical SMILES for 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine is Cc1nc2c(o1)CNCCC2.
What is the InChIKey of 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine?
The InChIKey is WYPIEGPRYTYSGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-10-7-3-2-4-9-5-8(7)11-6/h9H,2-5H2,1H3.
What are the key properties of 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine?
2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine has a molecular weight of 152.20 g/mol, XLogP of 1.02, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5,6,7,8-tetrahydro-4H-[1,3]oxazolo[5,4-c]azepine is sourced from PubChem (CID 84649649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).