6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine

C14H17N3O — CID 83870732

IUPAC6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine
SMILESNc1onc2c1CCN(Cc1ccccc1)CC2
InChIInChI=1S/C14H17N3O/c15-14-12-6-8-17(9-7-13(12)16-18-14)10-11-4-2-1-3-5-11/h1-5H,6-10,15H2
InChIKeyFMGROPQXXHKHAQ-UHFFFAOYSA-N
MW243.31 g/mol
LogP1.86
Rot. Bonds2

About 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine

6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine (PubChem CID 83870732) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine.

Molecular Properties

Compound Name6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine
PubChem CID83870732
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine
SMILESNc1onc2c1CCN(Cc1ccccc1)CC2
InChIInChI=1S/C14H17N3O/c15-14-12-6-8-17(9-7-13(12)16-18-14)10-11-4-2-1-3-5-11/h1-5H,6-10,15H2
InChIKeyFMGROPQXXHKHAQ-UHFFFAOYSA-N
XLogP1.86
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-benzyl-N-methyl-6,7-dihydro-4H-[1,2]oxazolo[4,3-c]pyridin-3-amine
CID 83870694
2-(6-benzyl-5,7-dihydro-4H-[1,2]oxazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870641
5-benzyl-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-3-amine
CID 83850276
1,4,7,10-tetrabenzyl-1,4,7,10-tetrazacyclododecane
CID 160853215
7-benzyl-2-N,2-N-dimethyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-2,4-diamine
CID 20825762
(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl)methanamine
CID 82386780
4-(aminomethyl)-7-benzyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-2-amine
CID 83870664
3-(4-benzylpiperazin-1-yl)-4-methyloxadiazol-3-ium-5-amine
CID 54331916
2-(6-benzyl-2-methyl-5,7-dihydro-4H-pyrazolo[3,4-c]pyridin-3-yl)ethanamine
CID 83870647
6-benzyl-4-chloro-2-(chloromethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 81217160
2-(1-benzylpiperidin-4-ylidene)ethanamine
CID 63970705
1-benzylazepane
CID 10954328

Frequently Asked Questions

What is the IUPAC name of 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine?
The IUPAC name of 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine (CID 83870732) is 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine.
What is the SMILES notation for 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine?
The canonical SMILES for 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine is Nc1onc2c1CCN(Cc1ccccc1)CC2.
What is the InChIKey of 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine?
The InChIKey is FMGROPQXXHKHAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c15-14-12-6-8-17(9-7-13(12)16-18-14)10-11-4-2-1-3-5-11/h1-5H,6-10,15H2.
What are the key properties of 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine?
6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine has a molecular weight of 243.31 g/mol, XLogP of 1.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-benzyl-4,5,7,8-tetrahydro-[1,2]oxazolo[3,4-d]azepin-3-amine is sourced from PubChem (CID 83870732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).