3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine

C11H16N2O — CID 82402619

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine
SMILESCc1noc(C)c1C1(N)CC2CC2C1
InChIInChI=1S/C11H16N2O/c1-6-10(7(2)14-13-6)11(12)4-8-3-9(8)5-11/h8-9H,3-5,12H2,1-2H3
InChIKeyFVPPQAAZPVEQFP-UHFFFAOYSA-N
MW192.26 g/mol
LogP1.88
Rot. Bonds1

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine

3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine (PubChem CID 82402619) has the molecular formula C11H16N2O and a molecular weight of 192.26 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine
PubChem CID82402619
Molecular FormulaC11H16N2O
Molecular Weight192.26 g/mol
Exact Mass192.13
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine
SMILESCc1noc(C)c1C1(N)CC2CC2C1
InChIInChI=1S/C11H16N2O/c1-6-10(7(2)14-13-6)11(12)4-8-3-9(8)5-11/h8-9H,3-5,12H2,1-2H3
InChIKeyFVPPQAAZPVEQFP-UHFFFAOYSA-N
XLogP1.88
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.26
LogP ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-Cyclohexyl-4-methyl-1,2-oxazol-5-amine
CID 43158311
3-Cyclopentyl-4-methyl-1,2-oxazol-5-amine
CID 43158313
5-Cyclopropyl-3-(4,4-difluorocyclohexyl)-4-methyl-1,2-oxazole
CID 134400416
4-Isopentyl-3,5-dimethylisoxazole
CID 45099333
3,5-Dimethyl-4-pentylisoxazole
CID 45099334
14-Methyl-12-oxa-13-azabicyclo[9.2.1]tetradeca-1(13),11(14)-diene
CID 12637115
4-{[(1r,3r)-3-(2,2-Dibromovinyl)-2,2-dimethylcyclopropyl]methyl}-3,5-dimethylisoxazole
CID 170458478
5-Cyclopropyl-3-(4,4-difluorocyclohexyl)-4-(nitrosomethyl)-1,2-oxazole
CID 145100672
1-(Dimethyl-1,2-oxazol-4-yl)-4,4-difluorocyclohexan-1-amine
CID 165633223
16-Methyl-14-oxa-15-azabicyclo[11.2.1]hexadeca-1(15),13(16)-diene
CID 337935
4-[1-(Cyclohexen-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole
CID 60158585
4-(Cyclopentylmethyl)-3,5-dimethyl-1,2-oxazole
CID 86105967

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine (CID 82402619) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine is Cc1noc(C)c1C1(N)CC2CC2C1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
The InChIKey is FVPPQAAZPVEQFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O/c1-6-10(7(2)14-13-6)11(12)4-8-3-9(8)5-11/h8-9H,3-5,12H2,1-2H3.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine?
3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine has a molecular weight of 192.26 g/mol, XLogP of 1.88, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)bicyclo[3.1.0]hexan-3-amine is sourced from PubChem (CID 82402619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).