N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

C14H19ClN4O — CID 106960479

IUPACN-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCc2cccc(Cl)c2)o1
InChIInChI=1S/C14H19ClN4O/c1-3-7-16-10(2)13-18-19-14(20-13)17-9-11-5-4-6-12(15)8-11/h4-6,8,10,16H,3,7,9H2,1-2H3,(H,17,19)
InChIKeyLJBYVXQLDWYMRF-UHFFFAOYSA-N
MW294.79 g/mol
LogP3.40
Rot. Bonds7

About N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine

N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (PubChem CID 106960479) has the molecular formula C14H19ClN4O and a molecular weight of 294.79 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
PubChem CID106960479
Molecular FormulaC14H19ClN4O
Molecular Weight294.79 g/mol
Exact Mass294.12
IUPAC NameN-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
SMILESCCCNC(C)c1nnc(NCc2cccc(Cl)c2)o1
InChIInChI=1S/C14H19ClN4O/c1-3-7-16-10(2)13-18-19-14(20-13)17-9-11-5-4-6-12(15)8-11/h4-6,8,10,16H,3,7,9H2,1-2H3,(H,17,19)
InChIKeyLJBYVXQLDWYMRF-UHFFFAOYSA-N
XLogP3.40
TPSA62.98 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.79
LogP ≤ 53.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(4-ethylphenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106967432
N-[1-(3-chlorophenyl)ethyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971201
N-(2,5-dichlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106966196
N-[1-[5-[(3-chlorophenoxy)methyl]-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62229836
5-[1-(propylamino)ethyl]-N-(2,2,2-trifluoroethyl)-1,3,4-oxadiazol-2-amine
CID 106967102
5-[1-(propylamino)ethyl]-N-(2-thiophen-3-ylethyl)-1,3,4-oxadiazol-2-amine
CID 106959383
5-[1-(ethylamino)ethyl]-N-(3-phenylpropyl)-1,3,4-oxadiazol-2-amine
CID 106969532
N-(4-bromo-3-chlorophenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 107618278
N-[1-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]propan-1-amine
CID 62162718
N-(2-methylphenyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106968365
5-[1-(ethylamino)ethyl]-N-[(6-methyl-3-pyridinyl)methyl]-1,3,4-oxadiazol-2-amine
CID 106961036
N-(2-methylsulfinylethyl)-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine
CID 106964952

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine (CID 106960479) is N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is CCCNC(C)c1nnc(NCc2cccc(Cl)c2)o1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is LJBYVXQLDWYMRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19ClN4O/c1-3-7-16-10(2)13-18-19-14(20-13)17-9-11-5-4-6-12(15)8-11/h4-6,8,10,16H,3,7,9H2,1-2H3,(H,17,19).
What are the key properties of N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine?
N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 294.79 g/mol, XLogP of 3.40, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-5-[1-(propylamino)ethyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106960479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).