3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

C14H17N3O — CID 55181154

IUPAC3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(C2(c3ccccc3)CC2)no1
InChIInChI=1S/C14H17N3O/c1-10(2)15-13-16-12(17-18-13)14(8-9-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyJMIZUFTXSQLXHD-UHFFFAOYSA-N
MW243.31 g/mol
LogP2.97
Rot. Bonds4

About 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine

3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (PubChem CID 55181154) has the molecular formula C14H17N3O and a molecular weight of 243.31 g/mol. Its IUPAC name is 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.

Molecular Properties

Compound Name3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
PubChem CID55181154
Molecular FormulaC14H17N3O
Molecular Weight243.31 g/mol
Exact Mass243.14
IUPAC Name3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine
SMILESCC(C)Nc1nc(C2(c3ccccc3)CC2)no1
InChIInChI=1S/C14H17N3O/c1-10(2)15-13-16-12(17-18-13)14(8-9-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,17)
InChIKeyJMIZUFTXSQLXHD-UHFFFAOYSA-N
XLogP2.97
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.31
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(1-phenylcyclohexyl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 55181346
N-cyclopropyl-3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-amine
CID 63078828
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63349809
1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 63080701
(1S)-1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 95010794
3-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 63350169
1-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-2-amine
CID 63079908
(1S,2S)-2-methyl-1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900094
4-[3-(1-phenylcyclobutyl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 63349538
2-methyl-3-[3-(1-phenylcyclopentyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81066810
2-[[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81073143
methyl 1-[3-(1-phenylcyclopropyl)-1,2,4-oxadiazol-5-yl]cyclopropane-1-carboxylate
CID 79714469

Frequently Asked Questions

What is the IUPAC name of 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The IUPAC name of 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine (CID 55181154) is 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine.
What is the SMILES notation for 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The canonical SMILES for 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is CC(C)Nc1nc(C2(c3ccccc3)CC2)no1.
What is the InChIKey of 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
The InChIKey is JMIZUFTXSQLXHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O/c1-10(2)15-13-16-12(17-18-13)14(8-9-14)11-6-4-3-5-7-11/h3-7,10H,8-9H2,1-2H3,(H,15,16,17).
What are the key properties of 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine?
3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine has a molecular weight of 243.31 g/mol, XLogP of 2.97, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-phenylcyclopropyl)-N-propan-2-yl-1,2,4-oxadiazol-5-amine is sourced from PubChem (CID 55181154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).