5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

C11H14N4O — CID 84596399

IUPAC5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cccnc2)o1
InChIInChI=1S/C11H14N4O/c1-8(2)10-14-15-11(16-10)13-7-9-4-3-5-12-6-9/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyDVHVYBLPQARLKZ-UHFFFAOYSA-N
MW218.26 g/mol
LogP2.20
Rot. Bonds4

About 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine

5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (PubChem CID 84596399) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
PubChem CID84596399
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC Name5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
SMILESCC(C)c1nnc(NCc2cccnc2)o1
InChIInChI=1S/C11H14N4O/c1-8(2)10-14-15-11(16-10)13-7-9-4-3-5-12-6-9/h3-6,8H,7H2,1-2H3,(H,13,15)
InChIKeyDVHVYBLPQARLKZ-UHFFFAOYSA-N
XLogP2.20
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 52.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106967245
1-methyl-N-(pyridin-3-ylmethyl)tetrazol-5-amine
CID 18801252
N-(pyridin-3-ylmethyl)pyridin-3-amine
CID 13304847
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-5-propan-2-yl-1,3,4-oxadiazol-2-amine
CID 115925127
5-(7H-cyclopenta[b]pyridin-5-yl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 58338473
5-propan-2-yl-4-N-(pyridin-3-ylmethyl)pyrimidine-4,6-diamine
CID 80771465
5-(1-chloroethyl)-N-(pyridazin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106959213
5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 75498272
5-bromo-N-(pyridin-3-ylmethyl)pyrimidin-2-amine
CID 63873980
2-N-(pyridin-3-ylmethyl)-1,3-benzoxazole-2,4-diamine
CID 79890467
5,6-dimethyl-N-(pyridin-3-ylmethyl)-1,2,4-triazin-3-amine
CID 114383128

Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine (CID 84596399) is 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is CC(C)c1nnc(NCc2cccnc2)o1.
What is the InChIKey of 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is DVHVYBLPQARLKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-8(2)10-14-15-11(16-10)13-7-9-4-3-5-12-6-9/h3-6,8H,7H2,1-2H3,(H,13,15).
What are the key properties of 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine?
5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 218.26 g/mol, XLogP of 2.20, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 84596399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).