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

C13H10ClN3O2 — CID 63548246

IUPAC3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESClc1cccc(NCc2nc(-c3ccoc3)no2)c1
InChIInChI=1S/C13H10ClN3O2/c14-10-2-1-3-11(6-10)15-7-12-16-13(17-19-12)9-4-5-18-8-9/h1-6,8,15H,7H2
InChIKeySXOLCOOUDJQMRH-UHFFFAOYSA-N
MW275.70 g/mol
LogP3.60
Rot. Bonds4

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

3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline (PubChem CID 63548246) has the molecular formula C13H10ClN3O2 and a molecular weight of 275.70 g/mol. Its IUPAC name is 3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline.

Molecular Properties

Compound Name3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
PubChem CID63548246
Molecular FormulaC13H10ClN3O2
Molecular Weight275.70 g/mol
Exact Mass275.05
IUPAC Name3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline
SMILESClc1cccc(NCc2nc(-c3ccoc3)no2)c1
InChIInChI=1S/C13H10ClN3O2/c14-10-2-1-3-11(6-10)15-7-12-16-13(17-19-12)9-4-5-18-8-9/h1-6,8,15H,7H2
InChIKeySXOLCOOUDJQMRH-UHFFFAOYSA-N
XLogP3.60
TPSA64.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.70
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-chloro-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60837251
3-chloro-N-[(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 60837591
3-chloro-N-[[3-(4-ethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 46594402
3,5-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771037
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-[(1R)-1-methoxyethyl]aniline
CID 100670031
N-[[3-(3-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]pyrimidin-2-amine
CID 133314634
3-chloro-N-[(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 116806728
3,4-dichloro-N-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]aniline
CID 112771036
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-(2,2,2-trifluoroethoxy)aniline
CID 60537777
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,5-difluoroaniline
CID 51282441
N-[[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 60683326
3-[5-(anilinomethyl)-1,2,4-oxadiazol-3-yl]phenol
CID 103832480

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The IUPAC name of 3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline (CID 63548246) is 3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline.
What is the SMILES notation for 3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The canonical SMILES for 3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline is Clc1cccc(NCc2nc(-c3ccoc3)no2)c1.
What is the InChIKey of 3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
The InChIKey is SXOLCOOUDJQMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3O2/c14-10-2-1-3-11(6-10)15-7-12-16-13(17-19-12)9-4-5-18-8-9/h1-6,8,15H,7H2.
What are the key properties of 3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline?
3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline has a molecular weight of 275.70 g/mol, XLogP of 3.60, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[3-(furan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]aniline is sourced from PubChem (CID 63548246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).