5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

C18H22N6O — CID 99820551

IUPAC5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(CNc2nnc(CC3CCCC3)o2)ccc1-n1cncn1
InChIInChI=1S/C18H22N6O/c1-13-8-15(6-7-16(13)24-12-19-11-21-24)10-20-18-23-22-17(25-18)9-14-4-2-3-5-14/h6-8,11-12,14H,2-5,9-10H2,1H3,(H,20,23)
InChIKeyIBTNDEWNBHMZEA-UHFFFAOYSA-N
MW338.41 g/mol
LogP3.30
Rot. Bonds6

About 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine

5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (PubChem CID 99820551) has the molecular formula C18H22N6O and a molecular weight of 338.41 g/mol. Its IUPAC name is 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
PubChem CID99820551
Molecular FormulaC18H22N6O
Molecular Weight338.41 g/mol
Exact Mass338.19
IUPAC Name5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine
SMILESCc1cc(CNc2nnc(CC3CCCC3)o2)ccc1-n1cncn1
InChIInChI=1S/C18H22N6O/c1-13-8-15(6-7-16(13)24-12-19-11-21-24)10-20-18-23-22-17(25-18)9-14-4-2-3-5-14/h6-8,11-12,14H,2-5,9-10H2,1H3,(H,20,23)
InChIKeyIBTNDEWNBHMZEA-UHFFFAOYSA-N
XLogP3.30
TPSA81.66 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine (CID 99820551) is 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is Cc1cc(CNc2nnc(CC3CCCC3)o2)ccc1-n1cncn1.
What is the InChIKey of 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is IBTNDEWNBHMZEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-13-8-15(6-7-16(13)24-12-19-11-21-24)10-20-18-23-22-17(25-18)9-14-4-2-3-5-14/h6-8,11-12,14H,2-5,9-10H2,1H3,(H,20,23).
What are the key properties of 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine?
5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 338.41 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylmethyl)-N-[[3-methyl-4-(1,2,4-triazol-1-yl)phenyl]methyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 99820551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).