N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

C15H19ClN4O — CID 116652733

IUPACN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(CN)C1CC1
InChIInChI=1S/C15H19ClN4O/c1-20(13(8-17)10-2-3-10)9-14-18-15(19-21-14)11-4-6-12(16)7-5-11/h4-7,10,13H,2-3,8-9,17H2,1H3
InChIKeyFPHRRBBPYLGQOV-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.56
Rot. Bonds6

About N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine

N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (PubChem CID 116652733) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.

Molecular Properties

Compound NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
PubChem CID116652733
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC NameN-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
SMILESCN(Cc1nc(-c2ccc(Cl)cc2)no1)C(CN)C1CC1
InChIInChI=1S/C15H19ClN4O/c1-20(13(8-17)10-2-3-10)9-14-18-15(19-21-14)11-4-6-12(16)7-5-11/h4-7,10,13H,2-3,8-9,17H2,1H3
InChIKeyFPHRRBBPYLGQOV-UHFFFAOYSA-N
XLogP2.56
TPSA68.18 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 ≤ 52.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine with MolForge

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Related Compounds

1-cyclopropyl-N-methyl-N-[(3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl]ethane-1,2-diamine
CID 116652488
(1R)-1-(1,3-benzothiazol-2-yl)-N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylethanamine
CID 8804995
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-propan-2-ylacetamide
CID 6485217
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]propanoic acid
CID 122083039
[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylazanium
CID 7385191
3-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119912219
N-[(5-chlorothiophen-2-yl)methyl]-1-cyclopropyl-N-methylethane-1,2-diamine
CID 61438347
5-(bromomethyl)-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 59402660
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63346525
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-methyl-2-methylsulfanylbenzamide
CID 7709412
4-[[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl-cyclopropylamino]methyl]benzamide
CID 46568053
3-(4-chlorophenyl)-5-[(4-methylpiperidin-1-ium-1-yl)methyl]-1,2,4-oxadiazole
CID 6928940

Frequently Asked Questions

What is the IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The IUPAC name of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine (CID 116652733) is N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine.
What is the SMILES notation for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The canonical SMILES for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is CN(Cc1nc(-c2ccc(Cl)cc2)no1)C(CN)C1CC1.
What is the InChIKey of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
The InChIKey is FPHRRBBPYLGQOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-20(13(8-17)10-2-3-10)9-14-18-15(19-21-14)11-4-6-12(16)7-5-11/h4-7,10,13H,2-3,8-9,17H2,1H3.
What are the key properties of N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine?
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine has a molecular weight of 306.80 g/mol, XLogP of 2.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-1-cyclopropyl-N-methylethane-1,2-diamine is sourced from PubChem (CID 116652733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).