[3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine

C10H17N3O — CID 83618708

IUPAC[3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1conc1N1CCCCCC1
InChIInChI=1S/C10H17N3O/c11-7-9-8-14-12-10(9)13-5-3-1-2-4-6-13/h8H,1-7,11H2
InChIKeyGLNWQWDXLBCLSZ-UHFFFAOYSA-N
MW195.27 g/mol
LogP1.51
Rot. Bonds2

About [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine

[3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine (PubChem CID 83618708) has the molecular formula C10H17N3O and a molecular weight of 195.27 g/mol. Its IUPAC name is [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine
PubChem CID83618708
Molecular FormulaC10H17N3O
Molecular Weight195.27 g/mol
Exact Mass195.14
IUPAC Name[3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine
SMILESNCc1conc1N1CCCCCC1
InChIInChI=1S/C10H17N3O/c11-7-9-8-14-12-10(9)13-5-3-1-2-4-6-13/h8H,1-7,11H2
InChIKeyGLNWQWDXLBCLSZ-UHFFFAOYSA-N
XLogP1.51
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.27
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(phenoxymethyl)-3-pyrrolidin-1-yl-1,2-oxazole
CID 175146303
[2-(azepan-1-yl)-6-tert-butyl-3-pyridinyl]methanamine
CID 58873347
[2-(azepan-1-yl)imidazo[1,2-a]pyridin-3-yl]methanamine
CID 43478216
(5-methyl-6-piperidin-1-yl-3-pyridinyl)methanamine
CID 79885911
[3-(trifluoromethyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 170910962
[2-(azepan-1-yl)pyrimidin-5-yl]methanamine
CID 62757844
(3-methyl-1,2-oxazol-4-yl)methanamine;hydrochloride
CID 71306254
(4-pyrrolidin-1-ylquinazolin-2-yl)methanamine
CID 68905950
[2-[(3-piperidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]methanamine
CID 116807107
[2-(azetidin-1-yl)-5-bromo-3-pyridinyl]methanamine
CID 130548423
(6-ethyl-2-piperidin-1-ylquinolin-3-yl)methanamine
CID 20983432
[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 83618709

Frequently Asked Questions

What is the IUPAC name of [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine?
The IUPAC name of [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine (CID 83618708) is [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine.
What is the SMILES notation for [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine?
The canonical SMILES for [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine is NCc1conc1N1CCCCCC1.
What is the InChIKey of [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine?
The InChIKey is GLNWQWDXLBCLSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N3O/c11-7-9-8-14-12-10(9)13-5-3-1-2-4-6-13/h8H,1-7,11H2.
What are the key properties of [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine?
[3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine has a molecular weight of 195.27 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(azepan-1-yl)-1,2-oxazol-4-yl]methanamine is sourced from PubChem (CID 83618708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).