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

C16H14ClN3O — CID 43701810

IUPACN-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NCc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-11-5-6-13(16-20-19-10-21-16)8-15(11)18-9-12-3-2-4-14(17)7-12/h2-8,10,18H,9H2,1H3
InChIKeyUAKJPFXGEDLKFR-UHFFFAOYSA-N
MW299.76 g/mol
LogP4.31
Rot. Bonds4

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

N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (PubChem CID 43701810) has the molecular formula C16H14ClN3O and a molecular weight of 299.76 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
PubChem CID43701810
Molecular FormulaC16H14ClN3O
Molecular Weight299.76 g/mol
Exact Mass299.08
IUPAC NameN-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
SMILESCc1ccc(-c2nnco2)cc1NCc1cccc(Cl)c1
InChIInChI=1S/C16H14ClN3O/c1-11-5-6-13(16-20-19-10-21-16)8-15(11)18-9-12-3-2-4-14(17)7-12/h2-8,10,18H,9H2,1H3
InChIKeyUAKJPFXGEDLKFR-UHFFFAOYSA-N
XLogP4.31
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 ≤ 54.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dichlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 122157141
N-ethyl-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701914
2-methyl-N-[(1-methylpyrazol-4-yl)methyl]-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701573
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(thiadiazol-4-ylmethyl)aniline
CID 43701909
2-methyl-5-(1,3,4-oxadiazol-2-yl)-N-(1,3-thiazol-2-ylmethyl)aniline
CID 63657222
2-methyl-N-(3-methylsulfanylpropyl)-5-(1,3,4-oxadiazol-2-yl)aniline
CID 43701561
N-[(3-ethylimidazol-4-yl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline
CID 66133997
5-chloro-2-methyl-N-[(3-methylphenyl)methyl]aniline
CID 28553559
3-chloro-2,2-dimethyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]propanamide
CID 63679608
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(1H-pyrrol-3-ylmethyl)aniline
CID 66410267
2-methyl-4-(1,3,4-oxadiazol-2-yl)-N-(thiophen-3-ylmethyl)aniline
CID 43735620
2-(3-chlorophenyl)-4-methyl-N-[2-methyl-5-(1,3,4-oxadiazol-2-yl)phenyl]-1,3-thiazole-5-carboxamide
CID 55731775

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline (CID 43701810) is N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is Cc1ccc(-c2nnco2)cc1NCc1cccc(Cl)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
The InChIKey is UAKJPFXGEDLKFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClN3O/c1-11-5-6-13(16-20-19-10-21-16)8-15(11)18-9-12-3-2-4-14(17)7-12/h2-8,10,18H,9H2,1H3.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline?
N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline has a molecular weight of 299.76 g/mol, XLogP of 4.31, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-methyl-5-(1,3,4-oxadiazol-2-yl)aniline is sourced from PubChem (CID 43701810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).