N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine

C21H23ClN4O2 — CID 34914349

IUPACN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCN(Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H23ClN4O2/c1-25(14-17-4-2-3-5-19(17)26-10-12-27-13-11-26)15-20-23-24-21(28-20)16-6-8-18(22)9-7-16/h2-9H,10-15H2,1H3
InChIKeyCDZMZSPCCIPLBZ-UHFFFAOYSA-N
MW398.89 g/mol
LogP3.86
Rot. Bonds6

About N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine

N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine (PubChem CID 34914349) has the molecular formula C21H23ClN4O2 and a molecular weight of 398.89 g/mol. Its IUPAC name is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine.

Molecular Properties

Compound NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
PubChem CID34914349
Molecular FormulaC21H23ClN4O2
Molecular Weight398.89 g/mol
Exact Mass398.15
IUPAC NameN-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
SMILESCN(Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccc1N1CCOCC1
InChIInChI=1S/C21H23ClN4O2/c1-25(14-17-4-2-3-5-19(17)26-10-12-27-13-11-26)15-20-23-24-21(28-20)16-6-8-18(22)9-7-16/h2-9H,10-15H2,1H3
InChIKeyCDZMZSPCCIPLBZ-UHFFFAOYSA-N
XLogP3.86
TPSA54.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.89
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 47012873
4-[5-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methylsulfanyl]-4-(2-methylphenyl)-1,2,4-triazol-3-yl]morpholine
CID 27753396
(1S)-1-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-N-methyl-N-[(2-morpholin-4-ylphenyl)methyl]ethanamine
CID 34875886
methyl 3-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl-methylamino]propanoate
CID 62013028
N-[(2,5-dimethyl-4-pyrrolidin-1-ylphenyl)methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine
CID 92626603
2-(4-chlorophenyl)-5-[[4-[(2-methylphenyl)methyl]piperazin-1-yl]methyl]-1,3,4-oxadiazole
CID 9256962
2-(4-chlorophenyl)-5-[(4-phenylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 8688023
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-(3,4-dimethoxyphenyl)-N-methylmethanamine
CID 31374350
6-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]-3H-isoindol-1-one
CID 162511000
N-methyl-N-[[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylmethanamine;hydrochloride
CID 171326059
7-methyl-4-[[methyl-[(2-morpholin-4-ylphenyl)methyl]amino]methyl]chromen-2-one
CID 25482662
N-methyl-N-[[2-(4-methylpiperidin-1-yl)pyrimidin-5-yl]methyl]-1-(2-morpholin-4-ylphenyl)methanamine
CID 46977086

Frequently Asked Questions

What is the IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
The IUPAC name of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine (CID 34914349) is N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine.
What is the SMILES notation for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
The canonical SMILES for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine is CN(Cc1nnc(-c2ccc(Cl)cc2)o1)Cc1ccccc1N1CCOCC1.
What is the InChIKey of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
The InChIKey is CDZMZSPCCIPLBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN4O2/c1-25(14-17-4-2-3-5-19(17)26-10-12-27-13-11-26)15-20-23-24-21(28-20)16-6-8-18(22)9-7-16/h2-9H,10-15H2,1H3.
What are the key properties of N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine?
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine has a molecular weight of 398.89 g/mol, XLogP of 3.86, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-methyl-1-(2-morpholin-4-ylphenyl)methanamine is sourced from PubChem (CID 34914349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).