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

C15H18ClN3O — CID 47053385

IUPACN-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
SMILESCC(c1nc(C2CC2)no1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-10(15-17-14(18-20-15)12-5-6-12)19(2)9-11-3-7-13(16)8-4-11/h3-4,7-8,10,12H,5-6,9H2,1-2H3
InChIKeyUJWNTHVLTRLMTA-UHFFFAOYSA-N
MW291.78 g/mol
LogP3.79
Rot. Bonds5

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

N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine (PubChem CID 47053385) has the molecular formula C15H18ClN3O and a molecular weight of 291.78 g/mol. Its IUPAC name is N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine.

Molecular Properties

Compound NameN-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
PubChem CID47053385
Molecular FormulaC15H18ClN3O
Molecular Weight291.78 g/mol
Exact Mass291.11
IUPAC NameN-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine
SMILESCC(c1nc(C2CC2)no1)N(C)Cc1ccc(Cl)cc1
InChIInChI=1S/C15H18ClN3O/c1-10(15-17-14(18-20-15)12-5-6-12)19(2)9-11-3-7-13(16)8-4-11/h3-4,7-8,10,12H,5-6,9H2,1-2H3
InChIKeyUJWNTHVLTRLMTA-UHFFFAOYSA-N
XLogP3.79
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.78
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine?
The IUPAC name of N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine (CID 47053385) is N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine.
What is the SMILES notation for N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine?
The canonical SMILES for N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine is CC(c1nc(C2CC2)no1)N(C)Cc1ccc(Cl)cc1.
What is the InChIKey of N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine?
The InChIKey is UJWNTHVLTRLMTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClN3O/c1-10(15-17-14(18-20-15)12-5-6-12)19(2)9-11-3-7-13(16)8-4-11/h3-4,7-8,10,12H,5-6,9H2,1-2H3.
What are the key properties of N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine?
N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine has a molecular weight of 291.78 g/mol, XLogP of 3.79, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-chlorophenyl)methyl]-1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-N-methylethanamine is sourced from PubChem (CID 47053385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).