N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

C18H20ClN7O2S — CID 38132325

IUPACN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C18H20ClN7O2S/c1-11(2)26-18(22-23-24-26)29-10-16(27)25(12-7-8-12)9-15-20-21-17(28-15)13-5-3-4-6-14(13)19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYLSYOEWCCGCSBR-UHFFFAOYSA-N
MW433.93 g/mol
LogP3.24
Rot. Bonds8

About N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide

N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (PubChem CID 38132325) has the molecular formula C18H20ClN7O2S and a molecular weight of 433.93 g/mol. Its IUPAC name is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.

Molecular Properties

Compound NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
PubChem CID38132325
Molecular FormulaC18H20ClN7O2S
Molecular Weight433.93 g/mol
Exact Mass433.11
IUPAC NameN-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide
SMILESCC(C)n1nnnc1SCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1
InChIInChI=1S/C18H20ClN7O2S/c1-11(2)26-18(22-23-24-26)29-10-16(27)25(12-7-8-12)9-15-20-21-17(28-15)13-5-3-4-6-14(13)19/h3-6,11-12H,7-10H2,1-2H3
InChIKeyYLSYOEWCCGCSBR-UHFFFAOYSA-N
XLogP3.24
TPSA102.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.93
LogP ≤ 53.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The IUPAC name of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide (CID 38132325) is N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide.
What is the SMILES notation for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The canonical SMILES for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is CC(C)n1nnnc1SCC(=O)N(Cc1nnc(-c2ccccc2Cl)o1)C1CC1.
What is the InChIKey of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
The InChIKey is YLSYOEWCCGCSBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN7O2S/c1-11(2)26-18(22-23-24-26)29-10-16(27)25(12-7-8-12)9-15-20-21-17(28-15)13-5-3-4-6-14(13)19/h3-6,11-12H,7-10H2,1-2H3.
What are the key properties of N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide?
N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide has a molecular weight of 433.93 g/mol, XLogP of 3.24, 8 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]-N-cyclopropyl-2-(1-propan-2-yltetrazol-5-yl)sulfanylacetamide is sourced from PubChem (CID 38132325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).