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

C19H25N3O3 — CID 126790892

IUPACN-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline
SMILESc1cc(NCc2nc(C3CCCC3)no2)cc(OCC2CCCO2)c1
InChIInChI=1S/C19H25N3O3/c1-2-6-14(5-1)19-21-18(25-22-19)12-20-15-7-3-8-16(11-15)24-13-17-9-4-10-23-17/h3,7-8,11,14,17,20H,1-2,4-6,9-10,12-13H2
InChIKeyHBLMLALSHNMKKA-UHFFFAOYSA-N
MW343.43 g/mol
LogP3.90
Rot. Bonds7

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

N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline (PubChem CID 126790892) has the molecular formula C19H25N3O3 and a molecular weight of 343.43 g/mol. Its IUPAC name is N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline.

Molecular Properties

Compound NameN-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline
PubChem CID126790892
Molecular FormulaC19H25N3O3
Molecular Weight343.43 g/mol
Exact Mass343.19
IUPAC NameN-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline
SMILESc1cc(NCc2nc(C3CCCC3)no2)cc(OCC2CCCO2)c1
InChIInChI=1S/C19H25N3O3/c1-2-6-14(5-1)19-21-18(25-22-19)12-20-15-7-3-8-16(11-15)24-13-17-9-4-10-23-17/h3,7-8,11,14,17,20H,1-2,4-6,9-10,12-13H2
InChIKeyHBLMLALSHNMKKA-UHFFFAOYSA-N
XLogP3.90
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-[[3-(oxolan-2-ylmethoxy)anilino]methyl]phenyl]methanol
CID 110006486
N-[[3-(2-methylpropoxy)phenyl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802595
N-[(2-butoxyphenyl)methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 54802241
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
1-[3-[(3-cyclopropyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]ethanone
CID 47063647
N-[[1-(2-fluorophenyl)pyrazol-3-yl]methyl]-3-(oxolan-2-ylmethoxy)aniline
CID 126778464
N-(2,6-dimethylphenyl)-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828585
N-naphthalen-2-yl-2-[3-(oxolan-2-ylmethoxy)anilino]acetamide
CID 54828752
2-[(3-tert-butylphenoxy)methyl]oxolane
CID 59734486
[(3R)-3-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)pyrrolidin-1-yl]-[3-[[(2S)-oxolan-2-yl]methoxy]phenyl]methanone
CID 124884052
3-(oxolan-2-ylmethoxy)-N-[2-(4-propan-2-ylphenoxy)propyl]aniline
CID 46736356
2-[3-(oxolan-2-ylmethoxy)anilino]-N-propylacetamide
CID 54828521

Frequently Asked Questions

What is the IUPAC name of N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline?
The IUPAC name of N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline (CID 126790892) is N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline.
What is the SMILES notation for N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline?
The canonical SMILES for N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline is c1cc(NCc2nc(C3CCCC3)no2)cc(OCC2CCCO2)c1.
What is the InChIKey of N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline?
The InChIKey is HBLMLALSHNMKKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3/c1-2-6-14(5-1)19-21-18(25-22-19)12-20-15-7-3-8-16(11-15)24-13-17-9-4-10-23-17/h3,7-8,11,14,17,20H,1-2,4-6,9-10,12-13H2.
What are the key properties of N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline?
N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline has a molecular weight of 343.43 g/mol, XLogP of 3.90, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-cyclopentyl-1,2,4-oxadiazol-5-yl)methyl]-3-(oxolan-2-ylmethoxy)aniline is sourced from PubChem (CID 126790892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).