N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline

C16H14ClN3O — CID 43206395

IUPACN-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nnco2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O/c1-11(14-4-2-3-5-15(14)17)19-13-8-6-12(7-9-13)16-20-18-10-21-16/h2-11,19H,1H3
InChIKeyOGHNKYWMUBYBDS-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.56
Rot. Bonds4

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

N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43206395) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43206395
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
SMILESCC(Nc1ccc(-c2nnco2)cc1)c1ccccc1Cl
InChIInChI=1S/C16H14ClN3O/c1-11(14-4-2-3-5-15(14)17)19-13-8-6-12(7-9-13)16-20-18-10-21-16/h2-11,19H,1H3
InChIKeyOGHNKYWMUBYBDS-UHFFFAOYSA-N
XLogP4.56
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.76
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-[(1R)-1-(2-chlorophenyl)ethoxy]phenyl]-1,3,4-oxadiazole
CID 8536931
N-[(1R)-1-(2-chlorophenyl)ethyl]pyridin-4-amine
CID 141011393
2-[1-[3-(1,3,4-oxadiazol-2-yl)anilino]ethyl]phenol
CID 43206442
4-(1,3,4-oxadiazol-2-yl)-N-[1-(1,3-thiazol-5-yl)ethyl]aniline
CID 115928974
6-bromo-N-[1-(2-chlorophenyl)ethyl]pyridin-3-amine
CID 113228015
3-(1,3,4-oxadiazol-2-yl)-N-(1-phenylethyl)aniline
CID 43206434
1-N-[1-(2-chlorophenyl)ethyl]-4-methylbenzene-1,3-diamine
CID 55132685
N-[1-(2-chlorophenyl)ethyl]-4-pyrrolidin-1-ylaniline
CID 43226933
N-[1-(2-chlorophenyl)ethyl]-6-methoxypyridin-3-amine
CID 43189825
N-[1-(2-bicyclo[2.2.1]hept-5-enyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline
CID 43770525
5-[1-(2-chlorophenyl)ethylamino]pyridine-2-carbonitrile
CID 79840053
4-chloro-N-[(1R)-1-(2-fluorophenyl)ethyl]aniline
CID 29291765

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline (CID 43206395) is N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline is CC(Nc1ccc(-c2nnco2)cc1)c1ccccc1Cl.
What is the InChIKey of N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is OGHNKYWMUBYBDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11(14-4-2-3-5-15(14)17)19-13-8-6-12(7-9-13)16-20-18-10-21-16/h2-11,19H,1H3.
What are the key properties of N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline?
N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 299.76 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-chlorophenyl)ethyl]-4-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43206395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).