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

C18H18ClN3O — CID 56824757

IUPAC1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
SMILESCCc1nnc(CNC(c2ccccc2)c2cccc(Cl)c2)o1
InChIInChI=1S/C18H18ClN3O/c1-2-16-21-22-17(23-16)12-20-18(13-7-4-3-5-8-13)14-9-6-10-15(19)11-14/h3-11,18,20H,2,12H2,1H3
InChIKeyPVQKZAQPKWLYTF-UHFFFAOYSA-N
MW327.82 g/mol
LogP4.16
Rot. Bonds6

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

1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine (PubChem CID 56824757) has the molecular formula C18H18ClN3O and a molecular weight of 327.82 g/mol. Its IUPAC name is 1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine.

Molecular Properties

Compound Name1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
PubChem CID56824757
Molecular FormulaC18H18ClN3O
Molecular Weight327.82 g/mol
Exact Mass327.11
IUPAC Name1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
SMILESCCc1nnc(CNC(c2ccccc2)c2cccc(Cl)c2)o1
InChIInChI=1S/C18H18ClN3O/c1-2-16-21-22-17(23-16)12-20-18(13-7-4-3-5-8-13)14-9-6-10-15(19)11-14/h3-11,18,20H,2,12H2,1H3
InChIKeyPVQKZAQPKWLYTF-UHFFFAOYSA-N
XLogP4.16
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.82
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(1R)-1-(2,5-dichlorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine
CID 124616909
N-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-1-phenylethanamine
CID 110652267
(1R)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-(1-methylbenzimidazol-2-yl)-1-phenylmethanamine
CID 99613009
N-[[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]methyl]propan-2-amine
CID 55083744
N-[(3-chlorophenyl)-(4-propan-2-ylphenyl)methyl]propan-1-amine
CID 43625480
(1S)-1-(3-chlorophenyl)-N-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 8599307
N-[(3-chlorophenyl)-(4-iodophenyl)methyl]propan-1-amine
CID 115812106
5-[(tert-butylamino)methyl]-N-[1-(3-chlorophenyl)ethyl]-1,3,4-oxadiazol-2-amine
CID 106971203
N-[(3-chlorophenyl)-(4-methoxyphenyl)methyl]propan-1-amine
CID 43495020
N-[(3-chlorophenyl)-[4-(trifluoromethyl)phenyl]methyl]ethanamine
CID 62789996
2-[[[(R)-(3-chlorophenyl)-phenylmethyl]amino]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 94631355
N-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-3-chloroaniline
CID 110653360

Frequently Asked Questions

What is the IUPAC name of 1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine?
The IUPAC name of 1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine (CID 56824757) is 1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine.
What is the SMILES notation for 1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine?
The canonical SMILES for 1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine is CCc1nnc(CNC(c2ccccc2)c2cccc(Cl)c2)o1.
What is the InChIKey of 1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine?
The InChIKey is PVQKZAQPKWLYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18ClN3O/c1-2-16-21-22-17(23-16)12-20-18(13-7-4-3-5-8-13)14-9-6-10-15(19)11-14/h3-11,18,20H,2,12H2,1H3.
What are the key properties of 1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine?
1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine has a molecular weight of 327.82 g/mol, XLogP of 4.16, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chlorophenyl)-N-[(5-ethyl-1,3,4-oxadiazol-2-yl)methyl]-1-phenylmethanamine is sourced from PubChem (CID 56824757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).