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

C13H10ClN3OS — CID 99698939

IUPAC2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESClc1ccccc1NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H10ClN3OS/c14-9-4-1-2-5-10(9)15-8-12-16-17-13(18-12)11-6-3-7-19-11/h1-7,15H,8H2
InChIKeyULSQKEISURPPPJ-UHFFFAOYSA-N
MW291.76 g/mol
LogP4.06
Rot. Bonds4

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

2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline (PubChem CID 99698939) has the molecular formula C13H10ClN3OS and a molecular weight of 291.76 g/mol. Its IUPAC name is 2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline
PubChem CID99698939
Molecular FormulaC13H10ClN3OS
Molecular Weight291.76 g/mol
Exact Mass291.02
IUPAC Name2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline
SMILESClc1ccccc1NCc1nnc(-c2cccs2)o1
InChIInChI=1S/C13H10ClN3OS/c14-9-4-1-2-5-10(9)15-8-12-16-17-13(18-12)11-6-3-7-19-11/h1-7,15H,8H2
InChIKeyULSQKEISURPPPJ-UHFFFAOYSA-N
XLogP4.06
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.76
LogP ≤ 54.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[5-(2-bromophenyl)-1,3,4-oxadiazol-2-yl]methyl]-2-chloroaniline
CID 43236759
(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methanol
CID 43558918
1-(4-chlorophenyl)-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]ethanamine
CID 78818373
1-phenyl-3-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]urea
CID 110322316
phenyl N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]carbamate
CID 110322337
2-(methoxymethyl)-5-thiophen-2-yl-1,3,4-oxadiazole
CID 53017470
N-[(4-chlorophenyl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-amine
CID 75521986
2,3-dichloro-N-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]aniline
CID 110652526
N-[(4-chlorophenyl)methyl]-3-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)propanamide
CID 110335195
4-methyl-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]benzenesulfonamide
CID 110322355
N-[(2-chlorophenyl)methyl]-2-thiophen-2-ylaniline
CID 43233651
N-(thiophen-2-ylmethyl)-2-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)acetamide
CID 53161971

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The IUPAC name of 2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline (CID 99698939) is 2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline.
What is the SMILES notation for 2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The canonical SMILES for 2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline is Clc1ccccc1NCc1nnc(-c2cccs2)o1.
What is the InChIKey of 2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline?
The InChIKey is ULSQKEISURPPPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3OS/c14-9-4-1-2-5-10(9)15-8-12-16-17-13(18-12)11-6-3-7-19-11/h1-7,15H,8H2.
What are the key properties of 2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline?
2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline has a molecular weight of 291.76 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl]aniline is sourced from PubChem (CID 99698939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).