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

C15H19ClN4O — CID 106961055

IUPACN-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1nnc(CNC2CC2)o1
InChIInChI=1S/C15H19ClN4O/c1-10(11-3-5-12(16)6-4-11)20(2)15-19-18-14(21-15)9-17-13-7-8-13/h3-6,10,13,17H,7-9H2,1-2H3
InChIKeyCLTUIZPYUCDHIK-UHFFFAOYSA-N
MW306.80 g/mol
LogP3.17
Rot. Bonds6

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

N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (PubChem CID 106961055) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
PubChem CID106961055
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
SMILESCC(c1ccc(Cl)cc1)N(C)c1nnc(CNC2CC2)o1
InChIInChI=1S/C15H19ClN4O/c1-10(11-3-5-12(16)6-4-11)20(2)15-19-18-14(21-15)9-17-13-7-8-13/h3-6,10,13,17H,7-9H2,1-2H3
InChIKeyCLTUIZPYUCDHIK-UHFFFAOYSA-N
XLogP3.17
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(chloromethyl)-N-[1-(4-chlorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957668
5-[(cyclopropylamino)methyl]-N-methyl-N-(4-methylpentan-2-yl)-1,3,4-oxadiazol-2-amine
CID 106959586
5-[(cyclopropylamino)methyl]-N,N-dimethyl-1,3,4-oxadiazol-2-amine
CID 82468411
N-cyclopropyl-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106968644
5-[(cyclopropylamino)methyl]-N-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-amine
CID 106966723
5-[(cyclopropylamino)methyl]-N-methyl-N-propyl-1,3,4-oxadiazol-2-amine
CID 106968742
5-[(cyclopropylamino)methyl]-N-(4-ethylphenyl)-N-methyl-1,3,4-oxadiazol-2-amine
CID 106971055
3-N-[1-(4-chlorophenyl)ethyl]-1-N-cyclopropyl-3-N-methylbutane-1,3-diamine
CID 62985090
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopentanamine
CID 2513524
5-(chloromethyl)-N-[1-(3-chlorophenyl)ethyl]-N-methyl-1,3,4-oxadiazol-2-amine
CID 106957675
N-[(4-chlorophenyl)methyl]-N-methyl-5-[(propan-2-ylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106959809
N-[1-(3-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-1,3,4-oxadiazol-2-amine
CID 106971199

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine (CID 106961055) is N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is CC(c1ccc(Cl)cc1)N(C)c1nnc(CNC2CC2)o1.
What is the InChIKey of N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
The InChIKey is CLTUIZPYUCDHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-10(11-3-5-12(16)6-4-11)20(2)15-19-18-14(21-15)9-17-13-7-8-13/h3-6,10,13,17H,7-9H2,1-2H3.
What are the key properties of N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine?
N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine has a molecular weight of 306.80 g/mol, XLogP of 3.17, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)ethyl]-5-[(cyclopropylamino)methyl]-N-methyl-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 106961055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).