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

C14H16BrN3O — CID 62163473

IUPACN-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESBrc1cccc(Cc2nnc(CCNC3CC3)o2)c1
InChIInChI=1S/C14H16BrN3O/c15-11-3-1-2-10(8-11)9-14-18-17-13(19-14)6-7-16-12-4-5-12/h1-3,8,12,16H,4-7,9H2
InChIKeyPTSVSWJSASBJDP-UHFFFAOYSA-N
MW322.21 g/mol
LogP2.72
Rot. Bonds6

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

N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (PubChem CID 62163473) has the molecular formula C14H16BrN3O and a molecular weight of 322.21 g/mol. Its IUPAC name is N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.

Molecular Properties

Compound NameN-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
PubChem CID62163473
Molecular FormulaC14H16BrN3O
Molecular Weight322.21 g/mol
Exact Mass321.05
IUPAC NameN-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
SMILESBrc1cccc(Cc2nnc(CCNC3CC3)o2)c1
InChIInChI=1S/C14H16BrN3O/c15-11-3-1-2-10(8-11)9-14-18-17-13(19-14)6-7-16-12-4-5-12/h1-3,8,12,16H,4-7,9H2
InChIKeyPTSVSWJSASBJDP-UHFFFAOYSA-N
XLogP2.72
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.21
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylpropan-1-amine
CID 62136727
3-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-ethylpropan-1-amine
CID 55039217
N-[3-[5-(3-bromophenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139301
N-[2-[5-(5-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 62960149
N-[3-[5-(4-bromo-2-methoxyphenyl)-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 115370031
2-[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 55083746
N-[2-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044397
N-[2-[5-(4-bromo-3-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine
CID 55044350
5-[2-(cyclopropylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 82468042
N-[3-[5-[(2-methylphenyl)methyl]-1,3,4-oxadiazol-2-yl]propyl]cyclopropanamine
CID 62139311
1-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]propan-1-amine
CID 62857911
N-[2-(3-bromophenyl)ethyl]-2-(cyclopropylamino)acetamide
CID 115158540

Frequently Asked Questions

What is the IUPAC name of N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The IUPAC name of N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine (CID 62163473) is N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine.
What is the SMILES notation for N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The canonical SMILES for N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is Brc1cccc(Cc2nnc(CCNC3CC3)o2)c1.
What is the InChIKey of N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
The InChIKey is PTSVSWJSASBJDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16BrN3O/c15-11-3-1-2-10(8-11)9-14-18-17-13(19-14)6-7-16-12-4-5-12/h1-3,8,12,16H,4-7,9H2.
What are the key properties of N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine?
N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine has a molecular weight of 322.21 g/mol, XLogP of 2.72, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[5-[(3-bromophenyl)methyl]-1,3,4-oxadiazol-2-yl]ethyl]cyclopropanamine is sourced from PubChem (CID 62163473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).