4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole

C21H24N2O2S2 — CID 158381591

IUPAC4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCCc1nc(-c2ccc(C)s2)oc1C.CCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C11H13NOS.C10H11NOS/c1-4-9-8(3)13-11(12-9)10-6-5-7(2)14-10;1-3-8-7(2)12-10(11-8)9-5-4-6-13-9/h5-6H,4H2,1-3H3;4-6H,3H2,1-2H3
InChIKeyGVVXGCCSFBHLFM-UHFFFAOYSA-N
MW400.57 g/mol
LogP6.86
Rot. Bonds4

About 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole

4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole (PubChem CID 158381591) has the molecular formula C21H24N2O2S2 and a molecular weight of 400.57 g/mol. Its IUPAC name is 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole
PubChem CID158381591
Molecular FormulaC21H24N2O2S2
Molecular Weight400.57 g/mol
Exact Mass400.13
IUPAC Name4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole
SMILESCCc1nc(-c2ccc(C)s2)oc1C.CCc1nc(-c2cccs2)oc1C
InChIInChI=1S/C11H13NOS.C10H11NOS/c1-4-9-8(3)13-11(12-9)10-6-5-7(2)14-10;1-3-8-7(2)12-10(11-8)9-5-4-6-13-9/h5-6H,4H2,1-3H3;4-6H,3H2,1-2H3
InChIKeyGVVXGCCSFBHLFM-UHFFFAOYSA-N
XLogP6.86
TPSA52.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.57
LogP ≤ 56.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(chloromethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 5076491
4-(2-bromoethyl)-5-methyl-2-thiophen-2-yl-1,3-oxazole
CID 23352157
2-methyl-5-thiophen-2-ylthiophene;propane
CID 142257628
N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]propane-1-sulfonamide
CID 110641335
5-methyl-4-[(2-methylphenoxy)methyl]-2-thiophen-2-yl-1,3-oxazole
CID 55511571
2-[methyl-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]amino]ethanol
CID 60712307
ethyl 4-ethyl-2-thiophen-2-yl-1,3-oxazole-5-carboxylate
CID 104842657
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]phenol
CID 104590545
(2S,3S)-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]butan-2-ol
CID 96535838
3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfanyl]propan-1-ol
CID 66128721
2-ethyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]butanamide
CID 110415415
2,3-dimethyl-N-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]aniline
CID 78833688

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole (CID 158381591) is 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole is CCc1nc(-c2ccc(C)s2)oc1C.CCc1nc(-c2cccs2)oc1C.
What is the InChIKey of 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is GVVXGCCSFBHLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13NOS.C10H11NOS/c1-4-9-8(3)13-11(12-9)10-6-5-7(2)14-10;1-3-8-7(2)12-10(11-8)9-5-4-6-13-9/h5-6H,4H2,1-3H3;4-6H,3H2,1-2H3.
What are the key properties of 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole?
4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 400.57 g/mol, XLogP of 6.86, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-5-methyl-2-(5-methylthiophen-2-yl)-1,3-oxazole;4-ethyl-5-methyl-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 158381591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).