2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

C19H19N7O3S — CID 41139060

IUPAC2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CSc2nnnn2C[C@H]2CCCO2)o1
InChIInChI=1S/C19H19N7O3S/c1-12-16(17(23-29-12)13-6-3-2-4-7-13)18-21-20-15(28-18)11-30-19-22-24-25-26(19)10-14-8-5-9-27-14/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyPOYMOFMSRMJNSN-CQSZACIVSA-N
MW425.47 g/mol
LogP3.16
Rot. Bonds7

About 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole

2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (PubChem CID 41139060) has the molecular formula C19H19N7O3S and a molecular weight of 425.47 g/mol. Its IUPAC name is 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
PubChem CID41139060
Molecular FormulaC19H19N7O3S
Molecular Weight425.47 g/mol
Exact Mass425.13
IUPAC Name2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole
SMILESCc1onc(-c2ccccc2)c1-c1nnc(CSc2nnnn2C[C@H]2CCCO2)o1
InChIInChI=1S/C19H19N7O3S/c1-12-16(17(23-29-12)13-6-3-2-4-7-13)18-21-20-15(28-18)11-30-19-22-24-25-26(19)10-14-8-5-9-27-14/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m1/s1
InChIKeyPOYMOFMSRMJNSN-CQSZACIVSA-N
XLogP3.16
TPSA117.78 Ų
H-Bond Donors
H-Bond Acceptors11
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.47
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1011

Analyze 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole with MolForge

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Launch Full Analysis

Related Compounds

2-[[5-methyl-4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 29477347
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(4-propan-2-ylphenyl)sulfanylmethyl]-1,3,4-oxadiazole
CID 35064681
2-[[5-(4-fluorophenyl)-4-[[(2S)-oxolan-2-yl]methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5-phenyl-1,3,4-oxadiazole
CID 41272778
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[(5-pyridin-3-yl-1,3,4-oxadiazol-2-yl)sulfanylmethyl]-1,3,4-oxadiazole
CID 29400232
5-[[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylmethyl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 74627392
2-[[1-(4-methoxyphenyl)imidazol-2-yl]sulfanylmethyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 26968857
2-[(2-cyclopentylpyrrolidin-1-yl)methyl]-5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 128941234
2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanyl-4-phenyl-1,3,5-triazine
CID 166251968
4-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]morpholine
CID 17449742
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylmethyl]-1,3,4-oxadiazole
CID 24527625
1-[[5-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-4-ol
CID 26519005
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Frequently Asked Questions

What is the IUPAC name of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole (CID 41139060) is 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is Cc1onc(-c2ccccc2)c1-c1nnc(CSc2nnnn2C[C@H]2CCCO2)o1.
What is the InChIKey of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
The InChIKey is POYMOFMSRMJNSN-CQSZACIVSA-N. The full InChI is InChI=1S/C19H19N7O3S/c1-12-16(17(23-29-12)13-6-3-2-4-7-13)18-21-20-15(28-18)11-30-19-22-24-25-26(19)10-14-8-5-9-27-14/h2-4,6-7,14H,5,8-11H2,1H3/t14-/m1/s1.
What are the key properties of 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole?
2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole has a molecular weight of 425.47 g/mol, XLogP of 3.16, 7 rotatable bonds, 0 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-5-[[1-[[(2R)-oxolan-2-yl]methyl]tetrazol-5-yl]sulfanylmethyl]-1,3,4-oxadiazole is sourced from PubChem (CID 41139060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).