2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline

C20H23N3O — CID 110651874

IUPAC2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline
SMILESCc1cccc(-c2nnc(CNc3c(C)cccc3C(C)C)o2)c1
InChIInChI=1S/C20H23N3O/c1-13(2)17-10-6-8-15(4)19(17)21-12-18-22-23-20(24-18)16-9-5-7-14(3)11-16/h5-11,13,21H,12H2,1-4H3
InChIKeyKZGRDLATKCOQQT-UHFFFAOYSA-N
MW321.42 g/mol
LogP5.09
Rot. Bonds5

About 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline

2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline (PubChem CID 110651874) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline.

Molecular Properties

Compound Name2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline
PubChem CID110651874
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline
SMILESCc1cccc(-c2nnc(CNc3c(C)cccc3C(C)C)o2)c1
InChIInChI=1S/C20H23N3O/c1-13(2)17-10-6-8-15(4)19(17)21-12-18-22-23-20(24-18)16-9-5-7-14(3)11-16/h5-11,13,21H,12H2,1-4H3
InChIKeyKZGRDLATKCOQQT-UHFFFAOYSA-N
XLogP5.09
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500321.42
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-tert-butyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651876
4-[5-[(2,6-dimethylanilino)methyl]-1,3,4-oxadiazol-2-yl]phenol
CID 155810761
2-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methylamino]benzonitrile
CID 110651950
methyl N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]carbamate
CID 110319437
5-chloro-2-methoxy-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110651889
4-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]benzenesulfonamide
CID 110319458
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]cyclopropanecarboxamide
CID 110319376
1-(4-methylphenyl)-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]methanesulfonamide
CID 110319492
N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-ethyl-6-methylaniline
CID 110652457
1-(3-methylphenyl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]methanamine
CID 60975667
N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]morpholine-4-carboxamide
CID 110319445
4-methyl-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyridin-2-amine
CID 18870599

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline?
The IUPAC name of 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline (CID 110651874) is 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline.
What is the SMILES notation for 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline?
The canonical SMILES for 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline is Cc1cccc(-c2nnc(CNc3c(C)cccc3C(C)C)o2)c1.
What is the InChIKey of 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline?
The InChIKey is KZGRDLATKCOQQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c1-13(2)17-10-6-8-15(4)19(17)21-12-18-22-23-20(24-18)16-9-5-7-14(3)11-16/h5-11,13,21H,12H2,1-4H3.
What are the key properties of 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline?
2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline has a molecular weight of 321.42 g/mol, XLogP of 5.09, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylaniline is sourced from PubChem (CID 110651874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).