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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Related Compounds

4-(3,5-difluorophenyl)-5-(3-ethylthiophen-2-yl)-1,2-oxazol-3-amine
CID 79975298
3-ethyl-2-(3-ethylthiophen-2-yl)thiophene
CID 14687766
4-(2-chlorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 79976164
2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]propan-2-amine
CID 79975488
4-(2-chloro-4-fluorophenyl)-3-(3-ethylthiophen-2-yl)-1,2-oxazol-5-amine
CID 79974175
2-amino-2-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104633282
1-[5-(3-ethylthiophen-2-yl)-1,2,4-oxadiazol-3-yl]-2,2-dimethylpropan-1-amine
CID 79975398
2-(3-ethylthiophen-2-yl)-5-iodo-1,3,4-oxadiazole
CID 114771810
4-chloro-5-(2-chlorophenyl)-1,2-oxazol-3-amine
CID 79555769
5-(3-chloro-4-methylthiophen-2-yl)-4-methyl-1,2-oxazol-3-amine
CID 103406991
4-chloro-5-(3-chloro-4-methylphenyl)-1,2-oxazol-3-amine
CID 79555946
4-(3-chlorophenyl)-5-(3-chlorothiophen-2-yl)-1,2-oxazol-3-amine
CID 80642541

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).