N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine

C11H19N3O — CID 42415429

IUPACN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1nc(CC2CC2)no1
InChIInChI=1S/C11H19N3O/c1-8(2)14(3)7-11-12-10(13-15-11)6-9-4-5-9/h8-9H,4-7H2,1-3H3
InChIKeyZLXLSOMMRKDHKR-UHFFFAOYSA-N
MW209.29 g/mol
LogP1.86
Rot. Bonds5

About N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine

N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine (PubChem CID 42415429) has the molecular formula C11H19N3O and a molecular weight of 209.29 g/mol. Its IUPAC name is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine.

Molecular Properties

Compound NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine
PubChem CID42415429
Molecular FormulaC11H19N3O
Molecular Weight209.29 g/mol
Exact Mass209.15
IUPAC NameN-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine
SMILESCC(C)N(C)Cc1nc(CC2CC2)no1
InChIInChI=1S/C11H19N3O/c1-8(2)14(3)7-11-12-10(13-15-11)6-9-4-5-9/h8-9H,4-7H2,1-3H3
InChIKeyZLXLSOMMRKDHKR-UHFFFAOYSA-N
XLogP1.86
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.29
LogP ≤ 51.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-1-quinolin-2-ylmethanamine
CID 56707377
1-[3-[(1-methylpiperidin-4-yl)methyl]-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 115080232
(2S)-N-cyclopentyl-2-[methyl-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]amino]propanamide
CID 95147928
3-(cyclopropylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-oxadiazole
CID 166250872
N-methyl-1-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]methanamine
CID 115081030
2-[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl-methylamino]propanoic acid
CID 62637255
5-cyclopropyl-3-(cyclopropylmethyl)-1,2,4-oxadiazole
CID 130718798
[3-(thian-4-ylmethyl)-1,2,4-oxadiazol-5-yl]methanol
CID 115079916
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]-1-[(3R)-oxolan-3-yl]methanamine
CID 95121051
trans-(1S,2S)-N-methyl-N-[[3-(3-methylbutyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfonylcyclohexan-1-amine
CID 97003694
N-methyl-N-[[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine
CID 43607336
1-[5-(oxan-4-ylmethyl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 115077562

Frequently Asked Questions

What is the IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine?
The IUPAC name of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine (CID 42415429) is N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine.
What is the SMILES notation for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine?
The canonical SMILES for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine is CC(C)N(C)Cc1nc(CC2CC2)no1.
What is the InChIKey of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine?
The InChIKey is ZLXLSOMMRKDHKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N3O/c1-8(2)14(3)7-11-12-10(13-15-11)6-9-4-5-9/h8-9H,4-7H2,1-3H3.
What are the key properties of N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine?
N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine has a molecular weight of 209.29 g/mol, XLogP of 1.86, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(cyclopropylmethyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylpropan-2-amine is sourced from PubChem (CID 42415429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).