5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine

C17H18N4O — CID 75498272

IUPAC5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cccc(-c3cccnc3)c2)o1
InChIInChI=1S/C17H18N4O/c1-2-5-16-20-21-17(22-16)19-11-13-6-3-7-14(10-13)15-8-4-9-18-12-15/h3-4,6-10,12H,2,5,11H2,1H3,(H,19,21)
InChIKeyVIKFWJSBOLLESR-UHFFFAOYSA-N
MW294.36 g/mol
LogP3.70
Rot. Bonds6

About 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine

5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 75498272) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
PubChem CID75498272
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine
SMILESCCCc1nnc(NCc2cccc(-c3cccnc3)c2)o1
InChIInChI=1S/C17H18N4O/c1-2-5-16-20-21-17(22-16)19-11-13-6-3-7-14(10-13)15-8-4-9-18-12-15/h3-4,6-10,12H,2,5,11H2,1H3,(H,19,21)
InChIKeyVIKFWJSBOLLESR-UHFFFAOYSA-N
XLogP3.70
TPSA63.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-propylphenyl)pyridine
CID 69055272
5-(methylaminomethyl)-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 106967245
N-benzyl-5-butyl-1,3,4-oxadiazol-2-amine
CID 75446055
5-(ethylaminomethyl)-N-[(3-methylphenyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106969546
5-methyl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 91367396
N-[(5-ethylfuran-2-yl)methyl]-5-propyl-1,3,4-oxadiazol-2-amine
CID 86782910
5-propan-2-yl-N-(pyridin-3-ylmethyl)-1,3,4-oxadiazol-2-amine
CID 84596399
3-[3-[3,5-bis(3-pyridin-3-ylphenyl)phenyl]phenyl]pyridine;propane
CID 144612655
3-morpholin-4-yl-N-[(3-pyridin-3-ylphenyl)methyl]pyridin-2-amine
CID 100696687
1-(3-pyridin-3-ylphenyl)propan-2-amine
CID 131562841
N-[(4-tert-butylphenyl)methyl]-5-ethyl-1,3,4-oxadiazol-2-amine
CID 72904267
N-[(3-methylphenyl)methyl]-5-[(2-methylpropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106969544

Frequently Asked Questions

What is the IUPAC name of 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine (CID 75498272) is 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine is CCCc1nnc(NCc2cccc(-c3cccnc3)c2)o1.
What is the InChIKey of 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is VIKFWJSBOLLESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c1-2-5-16-20-21-17(22-16)19-11-13-6-3-7-14(10-13)15-8-4-9-18-12-15/h3-4,6-10,12H,2,5,11H2,1H3,(H,19,21).
What are the key properties of 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine?
5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 294.36 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propyl-N-[(3-pyridin-3-ylphenyl)methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 75498272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).