4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol

C13H13N5O2S — CID 51891923

IUPAC4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCc1nc(CSc2nnnn2-c2ccc(O)cc2)oc1C
InChIInChI=1S/C13H13N5O2S/c1-8-9(2)20-12(14-8)7-21-13-15-16-17-18(13)10-3-5-11(19)6-4-10/h3-6,19H,7H2,1-2H3
InChIKeyXMZTTXZGXFBQHP-UHFFFAOYSA-N
MW303.35 g/mol
LogP2.27
Rot. Bonds4

About 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol

4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol (PubChem CID 51891923) has the molecular formula C13H13N5O2S and a molecular weight of 303.35 g/mol. Its IUPAC name is 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol.

Molecular Properties

Compound Name4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
PubChem CID51891923
Molecular FormulaC13H13N5O2S
Molecular Weight303.35 g/mol
Exact Mass303.08
IUPAC Name4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol
SMILESCc1nc(CSc2nnnn2-c2ccc(O)cc2)oc1C
InChIInChI=1S/C13H13N5O2S/c1-8-9(2)20-12(14-8)7-21-13-15-16-17-18(13)10-3-5-11(19)6-4-10/h3-6,19H,7H2,1-2H3
InChIKeyXMZTTXZGXFBQHP-UHFFFAOYSA-N
XLogP2.27
TPSA89.86 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.35
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The IUPAC name of 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol (CID 51891923) is 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol.
What is the SMILES notation for 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The canonical SMILES for 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol is Cc1nc(CSc2nnnn2-c2ccc(O)cc2)oc1C.
What is the InChIKey of 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
The InChIKey is XMZTTXZGXFBQHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13N5O2S/c1-8-9(2)20-12(14-8)7-21-13-15-16-17-18(13)10-3-5-11(19)6-4-10/h3-6,19H,7H2,1-2H3.
What are the key properties of 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol?
4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol has a molecular weight of 303.35 g/mol, XLogP of 2.27, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylsulfanyl]tetrazol-1-yl]phenol is sourced from PubChem (CID 51891923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).