3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide

C11H13ClN4O2S — CID 90648652

IUPAC3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
SMILESCc1nnc(CCNC(=O)CCc2cc(Cl)no2)s1
InChIInChI=1S/C11H13ClN4O2S/c1-7-14-15-11(19-7)4-5-13-10(17)3-2-8-6-9(12)16-18-8/h6H,2-5H2,1H3,(H,13,17)
InChIKeyNYNVBVVFGFRDDE-UHFFFAOYSA-N
MW300.77 g/mol
LogP1.78
Rot. Bonds6

About 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide

3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide (PubChem CID 90648652) has the molecular formula C11H13ClN4O2S and a molecular weight of 300.77 g/mol. Its IUPAC name is 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide.

Molecular Properties

Compound Name3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
PubChem CID90648652
Molecular FormulaC11H13ClN4O2S
Molecular Weight300.77 g/mol
Exact Mass300.04
IUPAC Name3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide
SMILESCc1nnc(CCNC(=O)CCc2cc(Cl)no2)s1
InChIInChI=1S/C11H13ClN4O2S/c1-7-14-15-11(19-7)4-5-13-10(17)3-2-8-6-9(12)16-18-8/h6H,2-5H2,1H3,(H,13,17)
InChIKeyNYNVBVVFGFRDDE-UHFFFAOYSA-N
XLogP1.78
TPSA80.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.77
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
The IUPAC name of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide (CID 90648652) is 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide.
What is the SMILES notation for 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
The canonical SMILES for 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide is Cc1nnc(CCNC(=O)CCc2cc(Cl)no2)s1.
What is the InChIKey of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
The InChIKey is NYNVBVVFGFRDDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN4O2S/c1-7-14-15-11(19-7)4-5-13-10(17)3-2-8-6-9(12)16-18-8/h6H,2-5H2,1H3,(H,13,17).
What are the key properties of 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide?
3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide has a molecular weight of 300.77 g/mol, XLogP of 1.78, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chloro-1,2-oxazol-5-yl)-N-[2-(5-methyl-1,3,4-thiadiazol-2-yl)ethyl]propanamide is sourced from PubChem (CID 90648652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).