4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole

C17H19NO2S — CID 126656948

IUPAC4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole
SMILESCc1conc1CCc1ccsc1CCc1occc1C
InChIInChI=1S/C17H19NO2S/c1-12-7-9-19-16(12)5-6-17-14(8-10-21-17)3-4-15-13(2)11-20-18-15/h7-11H,3-6H2,1-2H3
InChIKeyZPNCDZVFVKLSFQ-UHFFFAOYSA-N
MW301.41 g/mol
LogP4.52
Rot. Bonds6

About 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole

4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole (PubChem CID 126656948) has the molecular formula C17H19NO2S and a molecular weight of 301.41 g/mol. Its IUPAC name is 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole.

Molecular Properties

Compound Name4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole
PubChem CID126656948
Molecular FormulaC17H19NO2S
Molecular Weight301.41 g/mol
Exact Mass301.11
IUPAC Name4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole
SMILESCc1conc1CCc1ccsc1CCc1occc1C
InChIInChI=1S/C17H19NO2S/c1-12-7-9-19-16(12)5-6-17-14(8-10-21-17)3-4-15-13(2)11-20-18-15/h7-11H,3-6H2,1-2H3
InChIKeyZPNCDZVFVKLSFQ-UHFFFAOYSA-N
XLogP4.52
TPSA39.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.41
LogP ≤ 54.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-Methoxyphenyl)-4-(thiophen-2-yl)-1,2-oxazole
CID 145916483
3-[(4-Methoxyphenyl)carbonyl]isoxazol-4-yl 2-thienyl ketone
CID 723684
3-Methyl-5-[5-[4-(2-thienyl)phenoxy]pentyl]isoxazole
CID 10336575
5-[5-[2,6-Dimethyl-4-(3-thienyl)phenoxy]pentyl]-3-methyl-isoxazole
CID 15954767
4-(Furan-2-yl)-2-methylsulfanyl-5-(1,2-oxazol-3-yl)thiophene-3-carbonitrile
CID 2821095
[3-(2-Furoyl)-4-isoxazolyl](2-thienyl)methanone
CID 11543624
5-Phenyl-3-{[(furan-2-ylmethyl)sulfanyl]methyl}-isoxazole
CID 129751199
4-Benzenesulfonyl-3-(2'-furoyl)-5-thienylisoxazole
CID 129825952
[3-(4-Methoxyphenyl)-1,2-oxazol-4-yl]-thiophen-2-ylmethanone
CID 134999400
5-[5-(2,6-Dimethyl-4-thiophen-2-ylphenoxy)pentyl]-3-methyl-1,2-oxazole
CID 20027400
3-(4-octoxyphenyl)-5-[5-[(E)-pent-1-enyl]thiophen-2-yl]-1,2-oxazole
CID 22995203
5-(5-Butylthiophen-2-yl)-3-(4-octoxyphenyl)-1,2-oxazole
CID 22995220

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole?
The IUPAC name of 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole (CID 126656948) is 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole.
What is the SMILES notation for 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole?
The canonical SMILES for 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole is Cc1conc1CCc1ccsc1CCc1occc1C.
What is the InChIKey of 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole?
The InChIKey is ZPNCDZVFVKLSFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO2S/c1-12-7-9-19-16(12)5-6-17-14(8-10-21-17)3-4-15-13(2)11-20-18-15/h7-11H,3-6H2,1-2H3.
What are the key properties of 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole?
4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole has a molecular weight of 301.41 g/mol, XLogP of 4.52, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[2-[2-[2-(3-methylfuran-2-yl)ethyl]thiophen-3-yl]ethyl]-1,2-oxazole is sourced from PubChem (CID 126656948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).