4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

C9H15N3O2 — CID 66240879

IUPAC4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCCCc1noc(C2COCC2N)n1
InChIInChI=1S/C9H15N3O2/c1-2-3-8-11-9(14-12-8)6-4-13-5-7(6)10/h6-7H,2-5,10H2,1H3
InChIKeyAOCJKTXTYKQSKC-UHFFFAOYSA-N
MW197.24 g/mol
LogP0.46
Rot. Bonds3

About 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine

4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (PubChem CID 66240879) has the molecular formula C9H15N3O2 and a molecular weight of 197.24 g/mol. Its IUPAC name is 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.

Molecular Properties

Compound Name4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
PubChem CID66240879
Molecular FormulaC9H15N3O2
Molecular Weight197.24 g/mol
Exact Mass197.12
IUPAC Name4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
SMILESCCCc1noc(C2COCC2N)n1
InChIInChI=1S/C9H15N3O2/c1-2-3-8-11-9(14-12-8)6-4-13-5-7(6)10/h6-7H,2-5,10H2,1H3
InChIKeyAOCJKTXTYKQSKC-UHFFFAOYSA-N
XLogP0.46
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.24
LogP ≤ 50.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[3-[2-(dimethylamino)ethyl]-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 115345329
4-[3-(3,3-dimethylbutyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 114211243
4-[3-(methylsulfonylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66238890
4-[3-(oxolan-3-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 103985680
4-[3-(oxan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 113391148
4-[3-(phenylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66239900
4-[3-(1-ethoxypropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116701893
4-[3-(2-ethoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116740558
N-ethyl-4-[3-(3,3,3-trifluoropropyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 79953397
4-[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240495
4-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66240481
2-[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 63350639

Frequently Asked Questions

What is the IUPAC name of 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The IUPAC name of 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine (CID 66240879) is 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine.
What is the SMILES notation for 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The canonical SMILES for 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is CCCc1noc(C2COCC2N)n1.
What is the InChIKey of 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
The InChIKey is AOCJKTXTYKQSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H15N3O2/c1-2-3-8-11-9(14-12-8)6-4-13-5-7(6)10/h6-7H,2-5,10H2,1H3.
What are the key properties of 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine?
4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine has a molecular weight of 197.24 g/mol, XLogP of 0.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-propyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine is sourced from PubChem (CID 66240879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).