cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine

C10H16N2O — CID 178195152

IUPACcis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine
SMILESCc1noc(C)c1[C@H]1[C@H](N)C1(C)C
InChIInChI=1S/C10H16N2O/c1-5-7(6(2)13-12-5)8-9(11)10(8,3)4/h8-9H,11H2,1-4H3/t8-,9-/m0/s1
InChIKeyCNECEAIZPWBJDE-IUCAKERBSA-N
MW180.25 g/mol
LogP1.74
Rot. Bonds1

About cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine

cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine (PubChem CID 178195152) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine.

Molecular Properties

Compound Namecis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine
PubChem CID178195152
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Namecis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine
SMILESCc1noc(C)c1[C@H]1[C@H](N)C1(C)C
InChIInChI=1S/C10H16N2O/c1-5-7(6(2)13-12-5)8-9(11)10(8,3)4/h8-9H,11H2,1-4H3/t8-,9-/m0/s1
InChIKeyCNECEAIZPWBJDE-IUCAKERBSA-N
XLogP1.74
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 51.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine?
The IUPAC name of cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine (CID 178195152) is cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine.
What is the SMILES notation for cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine?
The canonical SMILES for cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine is Cc1noc(C)c1[C@H]1[C@H](N)C1(C)C.
What is the InChIKey of cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine?
The InChIKey is CNECEAIZPWBJDE-IUCAKERBSA-N. The full InChI is InChI=1S/C10H16N2O/c1-5-7(6(2)13-12-5)8-9(11)10(8,3)4/h8-9H,11H2,1-4H3/t8-,9-/m0/s1.
What are the key properties of cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine?
cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine has a molecular weight of 180.25 g/mol, XLogP of 1.74, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for cis-(1S,3S)-3-(3,5-dimethyl-1,2-oxazol-4-yl)-2,2-dimethylcyclopropan-1-amine is sourced from PubChem (CID 178195152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).