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

C17H17N3O — CID 95624332

IUPACN-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline
SMILESCc1nnc([C@H](C)Nc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C17H17N3O/c1-12(17-20-19-13(2)21-17)18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12,18H,1-2H3/t12-/m0/s1
InChIKeyPCURMXYXEYLYNO-LBPRGKRZSA-N
MW279.34 g/mol
LogP4.22
Rot. Bonds4

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

N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline (PubChem CID 95624332) has the molecular formula C17H17N3O and a molecular weight of 279.34 g/mol. Its IUPAC name is N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline.

Molecular Properties

Compound NameN-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline
PubChem CID95624332
Molecular FormulaC17H17N3O
Molecular Weight279.34 g/mol
Exact Mass279.14
IUPAC NameN-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline
SMILESCc1nnc([C@H](C)Nc2ccc(-c3ccccc3)cc2)o1
InChIInChI=1S/C17H17N3O/c1-12(17-20-19-13(2)21-17)18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12,18H,1-2H3/t12-/m0/s1
InChIKeyPCURMXYXEYLYNO-LBPRGKRZSA-N
XLogP4.22
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 54.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N1-(3-fluoro-4-methylphenyl)-N2-((5-methyl-1,3,4-oxadiazol-2-yl)methyl)oxalamide
CID 45584853
N-[4-(acetylamino)benzyl]-2-{[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amino}acetamide
CID 50978135
1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(2-methylphenyl)piperidin-4-amine
CID 51108424
1-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-N-(4-methylphenyl)piperidin-4-amine
CID 53565830
N-(3-methylphenyl)-1-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-amine
CID 72001430
1-[(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
CID 72001433
N-[1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-3-(2-phenylethoxymethyl)aniline
CID 72016954
N-(4-cyclohexylphenyl)-N'-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 118770140
N-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-oxadiazol-2-yl]methyl]-2,4-dimethylaniline
CID 1155301
4-methyl-N-[(5-phenylsulfanyl-1,3,4-oxadiazol-2-yl)methyl]aniline
CID 49767586
2-methyl-5-[1-(3-methyl-3,4-dihydro-2H-quinolin-1-yl)ethyl]-1,3,4-oxadiazole
CID 53594861
N-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl]-N-methyl-3-propan-2-ylaniline
CID 60289454

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline?
The IUPAC name of N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline (CID 95624332) is N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline.
What is the SMILES notation for N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline?
The canonical SMILES for N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline is Cc1nnc([C@H](C)Nc2ccc(-c3ccccc3)cc2)o1.
What is the InChIKey of N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline?
The InChIKey is PCURMXYXEYLYNO-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H17N3O/c1-12(17-20-19-13(2)21-17)18-16-10-8-15(9-11-16)14-6-4-3-5-7-14/h3-12,18H,1-2H3/t12-/m0/s1.
What are the key properties of N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline?
N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline has a molecular weight of 279.34 g/mol, XLogP of 4.22, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]-4-phenylaniline is sourced from PubChem (CID 95624332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).