N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

C15H18ClN3O2 — CID 62229477

IUPACN-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESClc1cccc(OCc2nnc(CCCNC3CC3)o2)c1
InChIInChI=1S/C15H18ClN3O2/c16-11-3-1-4-13(9-11)20-10-15-19-18-14(21-15)5-2-8-17-12-6-7-12/h1,3-4,9,12,17H,2,5-8,10H2
InChIKeyYYDDMYOUXJZYQI-UHFFFAOYSA-N
MW307.78 g/mol
LogP2.99
Rot. Bonds8

About N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine

N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (PubChem CID 62229477) has the molecular formula C15H18ClN3O2 and a molecular weight of 307.78 g/mol. Its IUPAC name is N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.

Molecular Properties

Compound NameN-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
PubChem CID62229477
Molecular FormulaC15H18ClN3O2
Molecular Weight307.78 g/mol
Exact Mass307.11
IUPAC NameN-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
SMILESClc1cccc(OCc2nnc(CCCNC3CC3)o2)c1
InChIInChI=1S/C15H18ClN3O2/c16-11-3-1-4-13(9-11)20-10-15-19-18-14(21-15)5-2-8-17-12-6-7-12/h1,3-4,9,12,17H,2,5-8,10H2
InChIKeyYYDDMYOUXJZYQI-UHFFFAOYSA-N
XLogP2.99
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.78
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[(3-chlorophenoxy)methyl]-5-(phenoxymethyl)-1,3,4-oxadiazole
CID 110655988
N-[3-[5-(5-chloro-2-fluorophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139131
2-(3-chloropropyl)-5-[(3-ethoxyphenoxy)methyl]-1,3,4-oxadiazole
CID 39416017
N-[[2-[(3-chlorophenoxy)methyl]-1,3-thiazol-5-yl]methyl]cyclopropanamine
CID 82423081
N-[[3-[(3-chlorophenoxy)methyl]phenyl]methyl]cyclopropanamine
CID 62460631
1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62229658
N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
N-[[4-[(3-chlorophenoxy)methyl]-5-methylthiophen-2-yl]methyl]cyclopropanamine
CID 80729821
N-[3-(3-ethoxyphenyl)propyl]cyclopropanamine
CID 79019318
N-[[3-[(3-chlorophenoxy)methyl]furan-2-yl]methyl]cyclopropanamine
CID 62459727
N-[3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139301
2-(phenoxymethyl)-5-[6-[5-(phenoxymethyl)-1,3,4-oxadiazol-2-yl]hexyl]-1,3,4-oxadiazole
CID 11259075

Frequently Asked Questions

What is the IUPAC name of N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The IUPAC name of N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine (CID 62229477) is N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine.
What is the SMILES notation for N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The canonical SMILES for N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is Clc1cccc(OCc2nnc(CCCNC3CC3)o2)c1.
What is the InChIKey of N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
The InChIKey is YYDDMYOUXJZYQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O2/c16-11-3-1-4-13(9-11)20-10-15-19-18-14(21-15)5-2-8-17-12-6-7-12/h1,3-4,9,12,17H,2,5-8,10H2.
What are the key properties of N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine?
N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine has a molecular weight of 307.78 g/mol, XLogP of 2.99, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine is sourced from PubChem (CID 62229477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).