3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine

C14H23N3O2 — CID 106474592

IUPAC3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1c1nc(C2(C)CC2)no1
InChIInChI=1S/C14H23N3O2/c1-3-7-15-11-4-8-18-9-10(11)12-16-13(17-19-12)14(2)5-6-14/h10-11,15H,3-9H2,1-2H3
InChIKeyAJOKVFWMCSEIQC-UHFFFAOYSA-N
MW265.36 g/mol
LogP1.99
Rot. Bonds5

About 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine

3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine (PubChem CID 106474592) has the molecular formula C14H23N3O2 and a molecular weight of 265.36 g/mol. Its IUPAC name is 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine.

Molecular Properties

Compound Name3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine
PubChem CID106474592
Molecular FormulaC14H23N3O2
Molecular Weight265.36 g/mol
Exact Mass265.18
IUPAC Name3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine
SMILESCCCNC1CCOCC1c1nc(C2(C)CC2)no1
InChIInChI=1S/C14H23N3O2/c1-3-7-15-11-4-8-18-9-10(11)12-16-13(17-19-12)14(2)5-6-14/h10-11,15H,3-9H2,1-2H3
InChIKeyAJOKVFWMCSEIQC-UHFFFAOYSA-N
XLogP1.99
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-propyl-3-[3-(thiolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474605
3-[3-(2-methylpropylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine
CID 106474486
N-propyl-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474293
N-propyl-3-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)oxan-4-amine
CID 106474289
N-methyl-3-[3-(2-methyloxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxan-4-amine
CID 106474581
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66253458
3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-N-methyloxan-4-amine
CID 106474680
4-[3-(2-methyloxan-2-yl)-1,2,4-oxadiazol-5-yl]-N-propylthiolan-3-amine
CID 83192469
N-propyl-4-[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 82007546
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-N-propylcyclohexan-1-amine
CID 63349479
4-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-propyloxolan-3-amine
CID 66252490
N-propyl-4-[3-(propylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66252880

Frequently Asked Questions

What is the IUPAC name of 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine?
The IUPAC name of 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine (CID 106474592) is 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine.
What is the SMILES notation for 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine?
The canonical SMILES for 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine is CCCNC1CCOCC1c1nc(C2(C)CC2)no1.
What is the InChIKey of 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine?
The InChIKey is AJOKVFWMCSEIQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2/c1-3-7-15-11-4-8-18-9-10(11)12-16-13(17-19-12)14(2)5-6-14/h10-11,15H,3-9H2,1-2H3.
What are the key properties of 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine?
3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine has a molecular weight of 265.36 g/mol, XLogP of 1.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]-N-propyloxan-4-amine is sourced from PubChem (CID 106474592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).