(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine

C10H10BrN3OS — CID 61346630

IUPAC(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1noc(C2CC2)n1)c1cc(Br)cs1
InChIInChI=1S/C10H10BrN3OS/c11-6-3-7(16-4-6)8(12)9-13-10(15-14-9)5-1-2-5/h3-5,8H,1-2,12H2
InChIKeyXPWPMJUFBBDPJE-UHFFFAOYSA-N
MW300.18 g/mol
LogP2.82
Rot. Bonds3

About (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine

(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine (PubChem CID 61346630) has the molecular formula C10H10BrN3OS and a molecular weight of 300.18 g/mol. Its IUPAC name is (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine.

Molecular Properties

Compound Name(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
PubChem CID61346630
Molecular FormulaC10H10BrN3OS
Molecular Weight300.18 g/mol
Exact Mass298.97
IUPAC Name(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
SMILESNC(c1noc(C2CC2)n1)c1cc(Br)cs1
InChIInChI=1S/C10H10BrN3OS/c11-6-3-7(16-4-6)8(12)9-13-10(15-14-9)5-1-2-5/h3-5,8H,1-2,12H2
InChIKeyXPWPMJUFBBDPJE-UHFFFAOYSA-N
XLogP2.82
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.18
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-bromothiophen-2-yl)-(5-ethyl-1,2,4-oxadiazol-3-yl)methanamine
CID 61346436
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(4-methyl-1,3-thiazol-2-yl)methanamine
CID 104771095
(3-bromo-4-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 43559740
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(3,4-dichlorophenyl)methanamine
CID 43559726
(5-bromoquinolin-8-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 115959894
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-[3-(trifluoromethyl)phenyl]methanamine
CID 43559769
(4-chloro-3-fluorophenyl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine
CID 54980431
(S)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(2-methoxyphenyl)methanamine
CID 93243858
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-(1,3-dimethylpyrazol-4-yl)methanamine
CID 83091641
(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-isoquinolin-4-ylmethanamine
CID 104504558
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61326658
5-(azetidin-3-yl)-3-(4-bromothiophen-2-yl)-1,2,4-oxadiazole
CID 79316729

Frequently Asked Questions

What is the IUPAC name of (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The IUPAC name of (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine (CID 61346630) is (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine.
What is the SMILES notation for (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The canonical SMILES for (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine is NC(c1noc(C2CC2)n1)c1cc(Br)cs1.
What is the InChIKey of (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
The InChIKey is XPWPMJUFBBDPJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrN3OS/c11-6-3-7(16-4-6)8(12)9-13-10(15-14-9)5-1-2-5/h3-5,8H,1-2,12H2.
What are the key properties of (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine?
(4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine has a molecular weight of 300.18 g/mol, XLogP of 2.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-bromothiophen-2-yl)-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)methanamine is sourced from PubChem (CID 61346630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).