N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine

C13H16N4O — CID 68843630

IUPACN-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine
SMILESCNc1ncccc1-c1cc(C2CCCN2)on1
InChIInChI=1S/C13H16N4O/c1-14-13-9(4-2-7-16-13)11-8-12(18-17-11)10-5-3-6-15-10/h2,4,7-8,10,15H,3,5-6H2,1H3,(H,14,16)
InChIKeySGYMQQGMIKVUSF-UHFFFAOYSA-N
MW244.30 g/mol
LogP2.20
Rot. Bonds3

About N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine

N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine (PubChem CID 68843630) has the molecular formula C13H16N4O and a molecular weight of 244.30 g/mol. Its IUPAC name is N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine
PubChem CID68843630
Molecular FormulaC13H16N4O
Molecular Weight244.30 g/mol
Exact Mass244.13
IUPAC NameN-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine
SMILESCNc1ncccc1-c1cc(C2CCCN2)on1
InChIInChI=1S/C13H16N4O/c1-14-13-9(4-2-7-16-13)11-8-12(18-17-11)10-5-3-6-15-10/h2,4,7-8,10,15H,3,5-6H2,1H3,(H,14,16)
InChIKeySGYMQQGMIKVUSF-UHFFFAOYSA-N
XLogP2.20
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.30
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine?
The IUPAC name of N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine (CID 68843630) is N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine.
What is the SMILES notation for N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine?
The canonical SMILES for N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine is CNc1ncccc1-c1cc(C2CCCN2)on1.
What is the InChIKey of N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine?
The InChIKey is SGYMQQGMIKVUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O/c1-14-13-9(4-2-7-16-13)11-8-12(18-17-11)10-5-3-6-15-10/h2,4,7-8,10,15H,3,5-6H2,1H3,(H,14,16).
What are the key properties of N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine?
N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine has a molecular weight of 244.30 g/mol, XLogP of 2.20, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(5-pyrrolidin-2-yl-1,2-oxazol-3-yl)pyridin-2-amine is sourced from PubChem (CID 68843630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).