[2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine

C10H9ClN2OS — CID 106923671

IUPAC[2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(Sc2ncco2)cc1Cl
InChIInChI=1S/C10H9ClN2OS/c11-9-5-8(2-1-7(9)6-12)15-10-13-3-4-14-10/h1-5H,6,12H2
InChIKeyIBHORHFHRMUOJG-UHFFFAOYSA-N
MW240.72 g/mol
LogP2.94
Rot. Bonds3

About [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine

[2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine (PubChem CID 106923671) has the molecular formula C10H9ClN2OS and a molecular weight of 240.72 g/mol. Its IUPAC name is [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine.

Molecular Properties

Compound Name[2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
PubChem CID106923671
Molecular FormulaC10H9ClN2OS
Molecular Weight240.72 g/mol
Exact Mass240.01
IUPAC Name[2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
SMILESNCc1ccc(Sc2ncco2)cc1Cl
InChIInChI=1S/C10H9ClN2OS/c11-9-5-8(2-1-7(9)6-12)15-10-13-3-4-14-10/h1-5H,6,12H2
InChIKeyIBHORHFHRMUOJG-UHFFFAOYSA-N
XLogP2.94
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.72
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-methyl-2-(1,3-oxazol-2-ylsulfanyl)-3-pyridinyl]methanamine
CID 106923649
[3-(1,3-oxazol-2-ylsulfanyl)pyridazin-4-yl]methanamine
CID 106923672
[2-chloro-4-[(4-methyl-1,3-thiazol-2-yl)sulfanyl]phenyl]methanamine
CID 62944053
2-[2-chloro-4-[(4-methyl-1,3-oxazol-2-yl)sulfanyl]phenyl]ethanamine
CID 114065071
2-amino-4-(1,3-oxazol-2-ylsulfanyl)benzonitrile
CID 106921446
[2-chloro-4-(2-fluorophenyl)sulfanylphenyl]methanamine
CID 55154318
2-methyl-4-(1,3-oxazol-2-ylsulfanyl)benzaldehyde
CID 106926334
N-methyl-1-[4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine
CID 106926421
2-(4,6-dichloropyrimidin-2-yl)sulfanyl-1,3-oxazole
CID 172684469
[2-methoxy-4-(1,3-oxazol-2-ylsulfanylmethyl)phenyl]methanamine
CID 106923784
[5-(1,3-oxazol-2-ylsulfanylmethyl)furan-2-yl]methanamine
CID 106927256
3-fluoro-5-(1,3-oxazol-2-ylsulfanyl)aniline
CID 106921372

Frequently Asked Questions

What is the IUPAC name of [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine?
The IUPAC name of [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine (CID 106923671) is [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine.
What is the SMILES notation for [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine?
The canonical SMILES for [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine is NCc1ccc(Sc2ncco2)cc1Cl.
What is the InChIKey of [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine?
The InChIKey is IBHORHFHRMUOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2OS/c11-9-5-8(2-1-7(9)6-12)15-10-13-3-4-14-10/h1-5H,6,12H2.
What are the key properties of [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine?
[2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine has a molecular weight of 240.72 g/mol, XLogP of 2.94, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-chloro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]methanamine is sourced from PubChem (CID 106923671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).