5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole

C10H15N5OS — CID 47165888

IUPAC5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESCn1nnnc1SCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C10H15N5OS/c1-10(2,3)7-5-11-8(16-7)6-17-9-12-13-14-15(9)4/h5H,6H2,1-4H3
InChIKeyIVVLMTCRDXLMJR-UHFFFAOYSA-N
MW253.33 g/mol
LogP1.79
Rot. Bonds3

About 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole

5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole (PubChem CID 47165888) has the molecular formula C10H15N5OS and a molecular weight of 253.33 g/mol. Its IUPAC name is 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole.

Molecular Properties

Compound Name5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
PubChem CID47165888
Molecular FormulaC10H15N5OS
Molecular Weight253.33 g/mol
Exact Mass253.10
IUPAC Name5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole
SMILESCn1nnnc1SCc1ncc(C(C)(C)C)o1
InChIInChI=1S/C10H15N5OS/c1-10(2,3)7-5-11-8(16-7)6-17-9-12-13-14-15(9)4/h5H,6H2,1-4H3
InChIKeyIVVLMTCRDXLMJR-UHFFFAOYSA-N
XLogP1.79
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.33
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The IUPAC name of 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole (CID 47165888) is 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole.
What is the SMILES notation for 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The canonical SMILES for 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole is Cn1nnnc1SCc1ncc(C(C)(C)C)o1.
What is the InChIKey of 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
The InChIKey is IVVLMTCRDXLMJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5OS/c1-10(2,3)7-5-11-8(16-7)6-17-9-12-13-14-15(9)4/h5H,6H2,1-4H3.
What are the key properties of 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole?
5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole has a molecular weight of 253.33 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[(1-methyltetrazol-5-yl)sulfanylmethyl]-1,3-oxazole is sourced from PubChem (CID 47165888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).