4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine

C9H9ClN2OS — CID 79975619

IUPAC4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCc1ccsc1-c1onc(N)c1Cl
InChIInChI=1S/C9H9ClN2OS/c1-2-5-3-4-14-8(5)7-6(10)9(11)12-13-7/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyYCPWTMDSMDEFSL-UHFFFAOYSA-N
MW228.70 g/mol
LogP3.20
Rot. Bonds2

About 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine

4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine (PubChem CID 79975619) has the molecular formula C9H9ClN2OS and a molecular weight of 228.70 g/mol. Its IUPAC name is 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine
PubChem CID79975619
Molecular FormulaC9H9ClN2OS
Molecular Weight228.70 g/mol
Exact Mass228.01
IUPAC Name4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine
SMILESCCc1ccsc1-c1onc(N)c1Cl
InChIInChI=1S/C9H9ClN2OS/c1-2-5-3-4-14-8(5)7-6(10)9(11)12-13-7/h3-4H,2H2,1H3,(H2,11,12)
InChIKeyYCPWTMDSMDEFSL-UHFFFAOYSA-N
XLogP3.20
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.70
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The IUPAC name of 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine (CID 79975619) is 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine.
What is the SMILES notation for 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The canonical SMILES for 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine is CCc1ccsc1-c1onc(N)c1Cl.
What is the InChIKey of 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
The InChIKey is YCPWTMDSMDEFSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9ClN2OS/c1-2-5-3-4-14-8(5)7-6(10)9(11)12-13-7/h3-4H,2H2,1H3,(H2,11,12).
What are the key properties of 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine?
4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine has a molecular weight of 228.70 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine is sourced from PubChem (CID 79975619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).