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

C13H17N3O — CID 114877558

IUPAC5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESCCC(C)Cc1onc(N)c1-c1ccccn1
InChIInChI=1S/C13H17N3O/c1-3-9(2)8-11-12(13(14)16-17-11)10-6-4-5-7-15-10/h4-7,9H,3,8H2,1-2H3,(H2,14,16)
InChIKeyXKSCFQSSEZDMPB-UHFFFAOYSA-N
MW231.30 g/mol
LogP2.91
Rot. Bonds4

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

5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (PubChem CID 114877558) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
PubChem CID114877558
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
SMILESCCC(C)Cc1onc(N)c1-c1ccccn1
InChIInChI=1S/C13H17N3O/c1-3-9(2)8-11-12(13(14)16-17-11)10-6-4-5-7-15-10/h4-7,9H,3,8H2,1-2H3,(H2,14,16)
InChIKeyXKSCFQSSEZDMPB-UHFFFAOYSA-N
XLogP2.91
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(2-methoxyphenyl)-5-(2-methylbutyl)-1,2-oxazol-3-amine
CID 114877509
4-pyridin-2-yl-5-(3-thiophen-2-ylpropyl)-1,2-oxazol-3-amine
CID 80522730
5-(3,5-dichlorophenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521472
5-propan-2-yl-4-pyridin-2-yl-1H-pyrazol-3-amine
CID 80521332
5-(2-methylpropyl)-4-pyridin-3-yl-1,2-oxazol-3-amine
CID 80523942
4-(2,6-dichlorophenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66206819
5-(2,3-dimethylphenyl)-4-pyridin-2-yl-1,2-oxazol-3-amine
CID 80521578
3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)pentan-2-ol
CID 63345401
4-(4-methylphenyl)-5-(2-methylpropyl)-1,2-oxazol-3-amine
CID 66199671
propane;2-pyridin-2-ylpyridine
CID 158168510
5-[(1R)-1-phenylpropyl]-3-pyridin-2-yl-1,2,4-oxadiazole
CID 803925
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61323577

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The IUPAC name of 5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine (CID 114877558) is 5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The canonical SMILES for 5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is CCC(C)Cc1onc(N)c1-c1ccccn1.
What is the InChIKey of 5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
The InChIKey is XKSCFQSSEZDMPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-9(2)8-11-12(13(14)16-17-11)10-6-4-5-7-15-10/h4-7,9H,3,8H2,1-2H3,(H2,14,16).
What are the key properties of 5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine?
5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine has a molecular weight of 231.30 g/mol, XLogP of 2.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutyl)-4-pyridin-2-yl-1,2-oxazol-3-amine is sourced from PubChem (CID 114877558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).