1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

C15H21ClN4O — CID 120865877

IUPAC1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C(c2cccc(Cl)c2)N(C)C)n1
InChIInChI=1S/C15H21ClN4O/c1-10(17-2)8-13-18-15(21-19-13)14(20(3)4)11-6-5-7-12(16)9-11/h5-7,9-10,14,17H,8H2,1-4H3
InChIKeyBTXFKKKCOOYPNS-UHFFFAOYSA-N
MW308.81 g/mol
LogP2.52
Rot. Bonds6

About 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine

1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (PubChem CID 120865877) has the molecular formula C15H21ClN4O and a molecular weight of 308.81 g/mol. Its IUPAC name is 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.

Molecular Properties

Compound Name1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
PubChem CID120865877
Molecular FormulaC15H21ClN4O
Molecular Weight308.81 g/mol
Exact Mass308.14
IUPAC Name1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
SMILESCNC(C)Cc1noc(C(c2cccc(Cl)c2)N(C)C)n1
InChIInChI=1S/C15H21ClN4O/c1-10(17-2)8-13-18-15(21-19-13)14(20(3)4)11-6-5-7-12(16)9-11/h5-7,9-10,14,17H,8H2,1-4H3
InChIKeyBTXFKKKCOOYPNS-UHFFFAOYSA-N
XLogP2.52
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.81
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-[1-(3-chlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865529
1-[5-[[ethyl(methyl)amino]-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120867041
1-[5-[1-(4-chlorophenyl)sulfanylethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120867338
N-methyl-1-[5-[methylsulfanyl(phenyl)methyl]-1,2,4-oxadiazol-3-yl]propan-2-amine;hydrochloride
CID 120869477
1-[5-[(3-chloro-4-fluorophenoxy)-phenylmethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120868278
1-[5-[1-(2,3-dichlorophenoxy)ethyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine;hydrochloride
CID 120868131
4-chloro-N-[1-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide;hydrochloride
CID 120866044
1-[5-[5-(4-chlorophenyl)-1,2-oxazol-3-yl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120866776
(1R)-1-(3-chlorophenyl)-N-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methyl]-1-pyridin-2-ylmethanamine
CID 124575331
1-[5-[(E)-2-(2,5-dichlorophenyl)ethenyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine
CID 120865585
(2R)-2-amino-2-[3-[(3-chlorophenyl)methyl]-1,2,4-oxadiazol-5-yl]ethanol
CID 104915640
2-[3-[(3-chlorophenyl)sulfanylmethyl]-1,2,4-oxadiazol-5-yl]-N-ethylpropan-1-amine
CID 66148470

Frequently Asked Questions

What is the IUPAC name of 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The IUPAC name of 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine (CID 120865877) is 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine.
What is the SMILES notation for 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The canonical SMILES for 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is CNC(C)Cc1noc(C(c2cccc(Cl)c2)N(C)C)n1.
What is the InChIKey of 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
The InChIKey is BTXFKKKCOOYPNS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21ClN4O/c1-10(17-2)8-13-18-15(21-19-13)14(20(3)4)11-6-5-7-12(16)9-11/h5-7,9-10,14,17H,8H2,1-4H3.
What are the key properties of 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine?
1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine has a molecular weight of 308.81 g/mol, XLogP of 2.52, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[(3-chlorophenyl)-(dimethylamino)methyl]-1,2,4-oxadiazol-3-yl]-N-methylpropan-2-amine is sourced from PubChem (CID 120865877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).