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

C8H13N3O — CID 15816909

IUPAC6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
SMILESCN1CCc2nc(N)oc2CC1
InChIInChI=1S/C8H13N3O/c1-11-4-2-6-7(3-5-11)12-8(9)10-6/h2-5H2,1H3,(H2,9,10)
InChIKeyWHFUXKXGAUGBLE-UHFFFAOYSA-N
MW167.21 g/mol
LogP0.29
Rot. Bonds

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

6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine (PubChem CID 15816909) has the molecular formula C8H13N3O and a molecular weight of 167.21 g/mol. Its IUPAC name is 6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine.

Molecular Properties

Compound Name6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
PubChem CID15816909
Molecular FormulaC8H13N3O
Molecular Weight167.21 g/mol
Exact Mass167.11
IUPAC Name6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine
SMILESCN1CCc2nc(N)oc2CC1
InChIInChI=1S/C8H13N3O/c1-11-4-2-6-7(3-5-11)12-8(9)10-6/h2-5H2,1H3,(H2,9,10)
InChIKeyWHFUXKXGAUGBLE-UHFFFAOYSA-N
XLogP0.29
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500167.21
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine?
The IUPAC name of 6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine (CID 15816909) is 6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine.
What is the SMILES notation for 6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine?
The canonical SMILES for 6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine is CN1CCc2nc(N)oc2CC1.
What is the InChIKey of 6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine?
The InChIKey is WHFUXKXGAUGBLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O/c1-11-4-2-6-7(3-5-11)12-8(9)10-6/h2-5H2,1H3,(H2,9,10).
What are the key properties of 6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine?
6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine has a molecular weight of 167.21 g/mol, XLogP of 0.29, 0 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-4,5,7,8-tetrahydro-[1,3]oxazolo[4,5-d]azepin-2-amine is sourced from PubChem (CID 15816909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).