(1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine

C17H15Cl2N3O — CID 124616909

IUPAC(1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
SMILESCc1nnc(CN[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H15Cl2N3O/c1-11-21-22-16(23-11)10-20-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)19/h2-9,17,20H,10H2,1H3/t17-/m1/s1
InChIKeyRVMDWQIFNWVPPN-QGZVFWFLSA-N
MW348.23 g/mol
LogP4.56
Rot. Bonds5

About (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine

(1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine (PubChem CID 124616909) has the molecular formula C17H15Cl2N3O and a molecular weight of 348.23 g/mol. Its IUPAC name is (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name(1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
PubChem CID124616909
Molecular FormulaC17H15Cl2N3O
Molecular Weight348.23 g/mol
Exact Mass347.06
IUPAC Name(1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
SMILESCc1nnc(CN[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1
InChIInChI=1S/C17H15Cl2N3O/c1-11-21-22-16(23-11)10-20-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)19/h2-9,17,20H,10H2,1H3/t17-/m1/s1
InChIKeyRVMDWQIFNWVPPN-QGZVFWFLSA-N
XLogP4.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.23
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine with MolForge

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Related Compounds

1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
CID 56824757
N-[(5-chloro-2-methylphenyl)-phenylmethyl]ethanamine
CID 82883967
N-[(5-chloro-2-fluorophenyl)-phenylmethyl]ethanamine
CID 43489085
1,1-diphenyl-N-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 52874291
N-[bis(2,5-dichlorophenyl)methyl]ethanamine
CID 43493009
2-(2,2-diphenylethyl)-5-methyl-1,3,4-oxadiazole
CID 101481286
N-[(3-chlorophenyl)-(2,5-dichlorophenyl)methyl]propan-1-amine
CID 43497693
1-(4-chlorophenyl)-1-(2-methylcyclopropyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 84599060
N-[(5-bromo-2-chlorophenyl)-phenylmethyl]ethanamine
CID 43489055
N-[1-(2,5-dichlorophenyl)ethyl]-3-phenylbutan-1-amine
CID 63463879
4-chloro-3-fluoro-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 107914486
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267

Frequently Asked Questions

What is the IUPAC name of (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine (CID 124616909) is (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine is Cc1nnc(CN[C@H](c2ccccc2)c2cc(Cl)ccc2Cl)o1.
What is the InChIKey of (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is RVMDWQIFNWVPPN-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H15Cl2N3O/c1-11-21-22-16(23-11)10-20-17(12-5-3-2-4-6-12)14-9-13(18)7-8-15(14)19/h2-9,17,20H,10H2,1H3/t17-/m1/s1.
What are the key properties of (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine?
(1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 348.23 g/mol, XLogP of 4.56, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 124616909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).