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

C13H15N3O — CID 107001966

IUPAC3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESCC1(C)CC1c1noc(N)c1-c1ccccn1
InChIInChI=1S/C13H15N3O/c1-13(2)7-8(13)11-10(12(14)17-16-11)9-5-3-4-6-15-9/h3-6,8H,7,14H2,1-2H3
InChIKeyRFHXRKFGJLMVBI-UHFFFAOYSA-N
MW229.28 g/mol
LogP2.83
Rot. Bonds2

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

3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine (PubChem CID 107001966) has the molecular formula C13H15N3O and a molecular weight of 229.28 g/mol. Its IUPAC name is 3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
PubChem CID107001966
Molecular FormulaC13H15N3O
Molecular Weight229.28 g/mol
Exact Mass229.12
IUPAC Name3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
SMILESCC1(C)CC1c1noc(N)c1-c1ccccn1
InChIInChI=1S/C13H15N3O/c1-13(2)7-8(13)11-10(12(14)17-16-11)9-5-3-4-6-15-9/h3-6,8H,7,14H2,1-2H3
InChIKeyRFHXRKFGJLMVBI-UHFFFAOYSA-N
XLogP2.83
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.28
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2,2-dimethylcyclopropyl)-4-phenyl-1,2-oxazol-5-amine
CID 107001934
3-(2,2-dimethylcyclopropyl)-4-(4-methylphenyl)-1,2-oxazol-5-amine
CID 107001962
3-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521059
4-pyridin-2-yl-3-(2,4,6-trimethylphenyl)-1,2-oxazol-5-amine
CID 80521077
3-nonyl-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80522271
3-(2,2-dimethylcyclopropyl)-4-propan-2-yl-1,2-oxazol-5-amine
CID 107001969
3-[2-(4-methylphenyl)ethyl]-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521081
3-(4,5-dimethylthiophen-2-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521630
3-(furan-3-yl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521431
3-(3-chloro-5-methylphenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 81323738
3-(5-bromo-2-chlorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 80521611
3-(4-chloro-2,5-difluorophenyl)-4-pyridin-2-yl-1,2-oxazol-5-amine
CID 82772619

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The IUPAC name of 3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine (CID 107001966) is 3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine is CC1(C)CC1c1noc(N)c1-c1ccccn1.
What is the InChIKey of 3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
The InChIKey is RFHXRKFGJLMVBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O/c1-13(2)7-8(13)11-10(12(14)17-16-11)9-5-3-4-6-15-9/h3-6,8H,7,14H2,1-2H3.
What are the key properties of 3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine?
3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine has a molecular weight of 229.28 g/mol, XLogP of 2.83, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylcyclopropyl)-4-pyridin-2-yl-1,2-oxazol-5-amine is sourced from PubChem (CID 107001966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).