3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine

C11H18N2O — CID 107001969

IUPAC3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine
SMILESCC(C)c1c(C2CC2(C)C)noc1N
InChIInChI=1S/C11H18N2O/c1-6(2)8-9(13-14-10(8)12)7-5-11(7,3)4/h6-7H,5,12H2,1-4H3
InChIKeyHFUWBDDZLLLFCN-UHFFFAOYSA-N
MW194.28 g/mol
LogP2.89
Rot. Bonds2

About 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine

3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine (PubChem CID 107001969) has the molecular formula C11H18N2O and a molecular weight of 194.28 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine
PubChem CID107001969
Molecular FormulaC11H18N2O
Molecular Weight194.28 g/mol
Exact Mass194.14
IUPAC Name3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine
SMILESCC(C)c1c(C2CC2(C)C)noc1N
InChIInChI=1S/C11H18N2O/c1-6(2)8-9(13-14-10(8)12)7-5-11(7,3)4/h6-7H,5,12H2,1-4H3
InChIKeyHFUWBDDZLLLFCN-UHFFFAOYSA-N
XLogP2.89
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.28
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,5,6,7-Tetrahydro-2,1-benzisoxazol-3-amine
CID 3446560
3-Cyclohexyl-4-methyl-1,2-oxazol-5-amine
CID 43158311
4-(Cyclohex-1-en-1-yl)-3-methyl-1,2-oxazol-5-amine
CID 13352200
3-(tert-Butyl)-4-methylisoxazol-5-amine
CID 14457870
4-Methyl-3-(1-methylethyl)-5-isoxazolamine
CID 14457874
4-Methyl-3-(oxan-4-yl)-1,2-oxazol-5-amine
CID 62906909
3-(3,3-Dimethylcyclobutyl)-1,2-oxazol-5-amine
CID 162485557
3-(2-Methylcyclopropyl)-1,2-oxazol-5-amine
CID 43115681
3-Cyclopentyl-4-methyl-1,2-oxazol-5-amine
CID 43158313
3-(1-Cyclopropylethyl)-1,2-oxazol-5-amine
CID 83155218
3-(1-Methylcyclohexyl)-1,2-oxazol-5-amine
CID 106827677
5-Methyl-4,5,6,7-tetrahydro-2,1-benzisoxazol-3-amine
CID 16454030

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine (CID 107001969) is 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine is CC(C)c1c(C2CC2(C)C)noc1N.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine?
The InChIKey is HFUWBDDZLLLFCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O/c1-6(2)8-9(13-14-10(8)12)7-5-11(7,3)4/h6-7H,5,12H2,1-4H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine?
3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine has a molecular weight of 194.28 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 107001969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).