N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline

C18H17N3O2 — CID 51121599

IUPACN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline
SMILESc1ccc(Oc2ccccc2NCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-6-14(7-3-1)22-16-9-5-4-8-15(16)19-12-17-20-18(21-23-17)13-10-11-13/h1-9,13,19H,10-12H2
InChIKeyOTGMAOBQEYXWAF-UHFFFAOYSA-N
MW307.35 g/mol
LogP4.35
Rot. Bonds6

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

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline (PubChem CID 51121599) has the molecular formula C18H17N3O2 and a molecular weight of 307.35 g/mol. Its IUPAC name is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline.

Molecular Properties

Compound NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline
PubChem CID51121599
Molecular FormulaC18H17N3O2
Molecular Weight307.35 g/mol
Exact Mass307.13
IUPAC NameN-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline
SMILESc1ccc(Oc2ccccc2NCc2nc(C3CC3)no2)cc1
InChIInChI=1S/C18H17N3O2/c1-2-6-14(7-3-1)22-16-9-5-4-8-15(16)19-12-17-20-18(21-23-17)13-10-11-13/h1-9,13,19H,10-12H2
InChIKeyOTGMAOBQEYXWAF-UHFFFAOYSA-N
XLogP4.35
TPSA60.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(2,6-dimethylphenoxy)aniline
CID 71937113
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-(methylsulfonylmethyl)aniline
CID 47086209
(3S)-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-3-phenoxypyrrolidine-1-carboxamide
CID 125443249
3,4-dichloro-N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 47063641
N-[3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)propyl]aniline
CID 54924305
N-[(5-methylthiophen-2-yl)methyl]-2-phenoxyaniline
CID 29041025
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
CID 47063647
[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]-2-methylphenyl]-thiomorpholin-4-ylmethanone
CID 47089952
4-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]benzonitrile
CID 47283180
2-phenoxy-N-[[3-(thian-4-yl)-1,2,4-oxadiazol-5-yl]methyl]propanamide
CID 121021978
N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 126790892
[2-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]methanamine
CID 54959648

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline?
The IUPAC name of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline (CID 51121599) is N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline.
What is the SMILES notation for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline?
The canonical SMILES for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline is c1ccc(Oc2ccccc2NCc2nc(C3CC3)no2)cc1.
What is the InChIKey of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline?
The InChIKey is OTGMAOBQEYXWAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O2/c1-2-6-14(7-3-1)22-16-9-5-4-8-15(16)19-12-17-20-18(21-23-17)13-10-11-13/h1-9,13,19H,10-12H2.
What are the key properties of N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline?
N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline has a molecular weight of 307.35 g/mol, XLogP of 4.35, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methyl]-2-phenoxyaniline is sourced from PubChem (CID 51121599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).