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

C16H21N3O — CID 99785627

IUPACN,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCN(C)CCCc1noc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C16H21N3O/c1-19(2)12-6-9-14-17-15(20-18-14)16(10-11-16)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyXTGSRJWPJHIRAT-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.64
Rot. Bonds6

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

N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (PubChem CID 99785627) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.

Molecular Properties

Compound NameN,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
PubChem CID99785627
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC NameN,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
SMILESCN(C)CCCc1noc(C2(c3ccccc3)CC2)n1
InChIInChI=1S/C16H21N3O/c1-19(2)12-6-9-14-17-15(20-18-14)16(10-11-16)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3
InChIKeyXTGSRJWPJHIRAT-UHFFFAOYSA-N
XLogP2.64
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The IUPAC name of N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine (CID 99785627) is N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine.
What is the SMILES notation for N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The canonical SMILES for N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is CN(C)CCCc1noc(C2(c3ccccc3)CC2)n1.
What is the InChIKey of N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
The InChIKey is XTGSRJWPJHIRAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-19(2)12-6-9-14-17-15(20-18-14)16(10-11-16)13-7-4-3-5-8-13/h3-5,7-8H,6,9-12H2,1-2H3.
What are the key properties of N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine?
N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine has a molecular weight of 271.36 g/mol, XLogP of 2.64, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-3-[5-(1-phenylcyclopropyl)-1,2,4-oxadiazol-3-yl]propan-1-amine is sourced from PubChem (CID 99785627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).