N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

C14H17F2N3O2 — CID 62165008

IUPACN-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(-c2cccc(OC(F)F)c2)o1
InChIInChI=1S/C14H17F2N3O2/c1-2-7-17-8-6-12-18-19-13(21-12)10-4-3-5-11(9-10)20-14(15)16/h3-5,9,14,17H,2,6-8H2,1H3
InChIKeyQMNOTSNXBGMZRM-UHFFFAOYSA-N
MW297.31 g/mol
LogP2.88
Rot. Bonds8

About N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine

N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (PubChem CID 62165008) has the molecular formula C14H17F2N3O2 and a molecular weight of 297.31 g/mol. Its IUPAC name is N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.

Molecular Properties

Compound NameN-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
PubChem CID62165008
Molecular FormulaC14H17F2N3O2
Molecular Weight297.31 g/mol
Exact Mass297.13
IUPAC NameN-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
SMILESCCCNCCc1nnc(-c2cccc(OC(F)F)c2)o1
InChIInChI=1S/C14H17F2N3O2/c1-2-7-17-8-6-12-18-19-13(21-12)10-4-3-5-11(9-10)20-14(15)16/h3-5,9,14,17H,2,6-8H2,1H3
InChIKeyQMNOTSNXBGMZRM-UHFFFAOYSA-N
XLogP2.88
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62164986
N-[[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methyl]propan-1-amine
CID 62136683
N-[2-[5-(4-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044396
N-[2-[5-(3-methoxy-4-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62163795
3-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 55039506
2-(3-chloropropyl)-5-(3-propan-2-yloxyphenyl)-1,3,4-oxadiazole
CID 62919288
2-ethyl-N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]butanamide
CID 110321810
N-[2-[5-(4-ethylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 55044206
N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]propanamide
CID 110321801
N-[2-[5-(3-propan-2-yloxyphenyl)-1,3-oxazol-2-yl]ethyl]propan-1-amine
CID 65183365
3-[5-[3-(propylamino)propyl]-1,3,4-oxadiazol-2-yl]benzonitrile
CID 62137630
methyl N-[2-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethyl]carbamate
CID 110321860

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The IUPAC name of N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine (CID 62165008) is N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine.
What is the SMILES notation for N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The canonical SMILES for N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is CCCNCCc1nnc(-c2cccc(OC(F)F)c2)o1.
What is the InChIKey of N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
The InChIKey is QMNOTSNXBGMZRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17F2N3O2/c1-2-7-17-8-6-12-18-19-13(21-12)10-4-3-5-11(9-10)20-14(15)16/h3-5,9,14,17H,2,6-8H2,1H3.
What are the key properties of N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine?
N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine has a molecular weight of 297.31 g/mol, XLogP of 2.88, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[3-(difluoromethoxy)phenyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine is sourced from PubChem (CID 62165008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).