N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

C13H18N6O2S — CID 26389065

IUPACN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2nnnn2C2CC2)on1
InChIInChI=1S/C13H18N6O2S/c1-13(2,3)9-6-11(21-16-9)14-10(20)7-22-12-15-17-18-19(12)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,14,20)
InChIKeyVPPZKTIYSDSEHP-UHFFFAOYSA-N
MW322.39 g/mol
LogP2.02
Rot. Bonds5

About N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (PubChem CID 26389065) has the molecular formula C13H18N6O2S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
PubChem CID26389065
Molecular FormulaC13H18N6O2S
Molecular Weight322.39 g/mol
Exact Mass322.12
IUPAC NameN-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)(C)c1cc(NC(=O)CSc2nnnn2C2CC2)on1
InChIInChI=1S/C13H18N6O2S/c1-13(2,3)9-6-11(21-16-9)14-10(20)7-22-12-15-17-18-19(12)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,14,20)
InChIKeyVPPZKTIYSDSEHP-UHFFFAOYSA-N
XLogP2.02
TPSA98.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[4-(1-cyclopropyltetrazol-5-yl)anilino]acetamide
CID 134020195
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[1-(2,4-dimethylphenyl)tetrazol-5-yl]sulfanylacetamide
CID 7627210
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 27548922
(2S)-2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3,3-dimethylbutanoic acid
CID 61145200
2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(3-tert-butyl-1,2-oxazol-5-yl)acetamide
CID 7630825
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-hydroxy-2-methylbutan-2-yl)acetamide
CID 115884717
methyl 2-[[2-(1-cyclopropyltetrazol-5-yl)sulfanylacetyl]amino]-3-hydroxypropanoate
CID 43422824
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-pyridin-2-ylacetamide
CID 31821740
3-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 47120957
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-[[4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide
CID 33303357
N-(2-tert-butylphenyl)-2-(1-cyclopentyltetrazol-5-yl)sulfanylacetamide
CID 37285708
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-(3-methylbutyl)acetamide
CID 27096193

Frequently Asked Questions

What is the IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide (CID 26389065) is N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is CC(C)(C)c1cc(NC(=O)CSc2nnnn2C2CC2)on1.
What is the InChIKey of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
The InChIKey is VPPZKTIYSDSEHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6O2S/c1-13(2,3)9-6-11(21-16-9)14-10(20)7-22-12-15-17-18-19(12)8-4-5-8/h6,8H,4-5,7H2,1-3H3,(H,14,20).
What are the key properties of N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide?
N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide has a molecular weight of 322.39 g/mol, XLogP of 2.02, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-tert-butyl-1,2-oxazol-5-yl)-2-(1-cyclopropyltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 26389065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).