3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole

C10H14N6O — CID 136524536

IUPAC3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cn2nnc(C3CC3)n2)no1
InChIInChI=1S/C10H14N6O/c1-2-3-9-11-8(14-17-9)6-16-13-10(12-15-16)7-4-5-7/h7H,2-6H2,1H3
InChIKeyWSSVPJAWOLVARY-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.93
Rot. Bonds5

About 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole

3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole (PubChem CID 136524536) has the molecular formula C10H14N6O and a molecular weight of 234.26 g/mol. Its IUPAC name is 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole
PubChem CID136524536
Molecular FormulaC10H14N6O
Molecular Weight234.26 g/mol
Exact Mass234.12
IUPAC Name3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole
SMILESCCCc1nc(Cn2nnc(C3CC3)n2)no1
InChIInChI=1S/C10H14N6O/c1-2-3-9-11-8(14-17-9)6-16-13-10(12-15-16)7-4-5-7/h7H,2-6H2,1H3
InChIKeyWSSVPJAWOLVARY-UHFFFAOYSA-N
XLogP0.93
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(5-cyclopropyl-4-methyl-1,2,4-triazol-3-yl)methyl]-1-(5-ethyl-1,2,4-oxadiazol-3-yl)-N-methylmethanamine
CID 72114175
5-cyclopropyl-3-[[(2R)-2-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95336012
3-[[5-(Difluoromethyl)-3-methyl-1,2,4-triazol-1-yl]methyl]-5-propyl-1,2,4-oxadiazole
CID 132970561
5-Butyl-3-[(5-methyltetrazol-1-yl)methyl]-1,2,4-oxadiazole
CID 136514600
5-[(5-Cyclopropyltetrazol-2-yl)methyl]-3-(2,2,2-trifluoroethyl)-1,2,4-oxadiazole
CID 127388306
5-(2-Methyltetrazol-5-yl)-3-propan-2-yl-1,2,4-oxadiazole
CID 146238800
5-Ethyl-3-(1-ethyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448622
5-Ethyl-3-(1-propyl-1,2,4-triazol-3-yl)-1,2,4-oxadiazole
CID 146448721
4-[1-(3-Propan-2-yl-1,2,4-oxadiazol-5-yl)propan-2-yl]-1,2,3,5-oxatriazole
CID 155439556
3-Methyl-5-[1-(1-methyl-5-propan-2-yltetrazol-1-ium-2-yl)propan-2-yl]-1,2,4-oxadiazole
CID 170084240
1-[[5-(2-Methylpropyl)-1,2,4-oxadiazol-3-yl]methyl]-1,2,4-triazole-3-carbonitrile
CID 38661194
5-[1-(3,5-Dimethyl-1,2,4-triazol-1-yl)propan-2-yl]-3-propyl-1,2,4-oxadiazole
CID 45171977

Frequently Asked Questions

What is the IUPAC name of 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole (CID 136524536) is 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole is CCCc1nc(Cn2nnc(C3CC3)n2)no1.
What is the InChIKey of 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole?
The InChIKey is WSSVPJAWOLVARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14N6O/c1-2-3-9-11-8(14-17-9)6-16-13-10(12-15-16)7-4-5-7/h7H,2-6H2,1H3.
What are the key properties of 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole?
3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole has a molecular weight of 234.26 g/mol, XLogP of 0.93, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-cyclopropyltetrazol-2-yl)methyl]-5-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 136524536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).