2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

C13H16N4O2 — CID 104743065

IUPAC2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCC1(c2noc(-c3ncccc3N)n2)CCCCO1
InChIInChI=1S/C13H16N4O2/c1-13(6-2-3-8-18-13)12-16-11(19-17-12)10-9(14)5-4-7-15-10/h4-5,7H,2-3,6,8,14H2,1H3
InChIKeyKACFUHHEKZPVJK-UHFFFAOYSA-N
MW260.30 g/mol
LogP2.13
Rot. Bonds2

About 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine

2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (PubChem CID 104743065) has the molecular formula C13H16N4O2 and a molecular weight of 260.30 g/mol. Its IUPAC name is 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.

Molecular Properties

Compound Name2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
PubChem CID104743065
Molecular FormulaC13H16N4O2
Molecular Weight260.30 g/mol
Exact Mass260.13
IUPAC Name2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine
SMILESCC1(c2noc(-c3ncccc3N)n2)CCCCO1
InChIInChI=1S/C13H16N4O2/c1-13(6-2-3-8-18-13)12-16-11(19-17-12)10-9(14)5-4-7-15-10/h4-5,7H,2-3,6,8,14H2,1H3
InChIKeyKACFUHHEKZPVJK-UHFFFAOYSA-N
XLogP2.13
TPSA87.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.30
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-amino-6-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 136712766
2-amino-5-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 80691509
4-methoxy-2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 115411911
3-methoxy-4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]aniline
CID 107209258
[4-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-2-pyridinyl]methanamine
CID 114324977
4,5-dimethyl-3-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]thiophen-2-amine
CID 80691354
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-2-phenylethanamine
CID 80683512
5-[chloro(phenyl)methyl]-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 80691775
5-(2,3-dihydro-1H-isoindol-5-yl)-3-(2-methyloxan-2-yl)-1,2,4-oxadiazole
CID 103999555
4-[2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]ethyl]aniline
CID 115340405
(R)-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]-phenylmethanamine
CID 104898719
4-(2-methyloxan-2-yl)-1,3,5-triazin-2-amine
CID 80681823

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The IUPAC name of 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine (CID 104743065) is 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine.
What is the SMILES notation for 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The canonical SMILES for 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is CC1(c2noc(-c3ncccc3N)n2)CCCCO1.
What is the InChIKey of 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
The InChIKey is KACFUHHEKZPVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2/c1-13(6-2-3-8-18-13)12-16-11(19-17-12)10-9(14)5-4-7-15-10/h4-5,7H,2-3,6,8,14H2,1H3.
What are the key properties of 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine?
2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine has a molecular weight of 260.30 g/mol, XLogP of 2.13, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]pyridin-3-amine is sourced from PubChem (CID 104743065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).