5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole

C16H13N5O2S — CID 8684722

IUPAC5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1ccc(-n2nnnc2SCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C16H13N5O2S/c1-11-4-6-13(7-5-11)21-16(17-19-20-21)24-10-12-9-15(23-18-12)14-3-2-8-22-14/h2-9H,10H2,1H3
InChIKeyUUUVONWZYXDDCM-UHFFFAOYSA-N
MW339.38 g/mol
LogP3.51
Rot. Bonds5

About 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole

5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole (PubChem CID 8684722) has the molecular formula C16H13N5O2S and a molecular weight of 339.38 g/mol. Its IUPAC name is 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole.

Molecular Properties

Compound Name5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
PubChem CID8684722
Molecular FormulaC16H13N5O2S
Molecular Weight339.38 g/mol
Exact Mass339.08
IUPAC Name5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
SMILESCc1ccc(-n2nnnc2SCc2cc(-c3ccco3)on2)cc1
InChIInChI=1S/C16H13N5O2S/c1-11-4-6-13(7-5-11)21-16(17-19-20-21)24-10-12-9-15(23-18-12)14-3-2-8-22-14/h2-9H,10H2,1H3
InChIKeyUUUVONWZYXDDCM-UHFFFAOYSA-N
XLogP3.51
TPSA82.77 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

3-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-5-(furan-2-yl)-1,2-oxazole
CID 18098780
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-3-(4-methylphenyl)quinazolin-4-one
CID 9491409
5-(furan-2-yl)-3-[[1-(2-thiophen-2-ylethyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole
CID 24574301
4-[[1-(2,6-dimethylphenyl)tetrazol-5-yl]sulfanylmethyl]-2-(furan-2-yl)-1,3-thiazole
CID 31398044
2-(5-methylfuran-2-yl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 39530014
3-[[1-(2-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-5-phenyl-1,2-oxazole
CID 8577228
5-(furan-2-yl)-3-[[4-(2-methoxyethyl)-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1,2-oxazole
CID 17452557
5-(furan-2-yl)-3-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanylmethyl]-1,2-oxazole
CID 18201699
2-(2-methoxyphenyl)-4-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,3-thiazole
CID 51140145
5-cyclopropyl-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2,4-oxadiazole
CID 60563929
4-[5-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylsulfanyl]tetrazol-1-yl]phenol
CID 24666683
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylsulfanyl]-2-methylaniline
CID 79148078

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The IUPAC name of 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole (CID 8684722) is 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole.
What is the SMILES notation for 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The canonical SMILES for 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole is Cc1ccc(-n2nnnc2SCc2cc(-c3ccco3)on2)cc1.
What is the InChIKey of 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
The InChIKey is UUUVONWZYXDDCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13N5O2S/c1-11-4-6-13(7-5-11)21-16(17-19-20-21)24-10-12-9-15(23-18-12)14-3-2-8-22-14/h2-9H,10H2,1H3.
What are the key properties of 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole?
5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole has a molecular weight of 339.38 g/mol, XLogP of 3.51, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(furan-2-yl)-3-[[1-(4-methylphenyl)tetrazol-5-yl]sulfanylmethyl]-1,2-oxazole is sourced from PubChem (CID 8684722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).