N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

C18H24N6O3S — CID 46344951

IUPACN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCc1noc(C)c1CCNC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C18H24N6O3S/c1-11-13(12(2)27-22-11)7-8-19-16(26)14-5-3-9-23(14)17-20-21-18(28-17)24-10-4-6-15(24)25/h14H,3-10H2,1-2H3,(H,19,26)
InChIKeyBKIHZVCKCNLJSW-UHFFFAOYSA-N
MW404.50 g/mol
LogP1.60
Rot. Bonds6

About N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide

N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (PubChem CID 46344951) has the molecular formula C18H24N6O3S and a molecular weight of 404.50 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
PubChem CID46344951
Molecular FormulaC18H24N6O3S
Molecular Weight404.50 g/mol
Exact Mass404.16
IUPAC NameN-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide
SMILESCc1noc(C)c1CCNC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1
InChIInChI=1S/C18H24N6O3S/c1-11-13(12(2)27-22-11)7-8-19-16(26)14-5-3-9-23(14)17-20-21-18(28-17)24-10-4-6-15(24)25/h14H,3-10H2,1-2H3,(H,19,26)
InChIKeyBKIHZVCKCNLJSW-UHFFFAOYSA-N
XLogP1.60
TPSA104.46 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.50
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide (CID 46344951) is N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is Cc1noc(C)c1CCNC(=O)C1CCCN1c1nnc(N2CCCC2=O)s1.
What is the InChIKey of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
The InChIKey is BKIHZVCKCNLJSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N6O3S/c1-11-13(12(2)27-22-11)7-8-19-16(26)14-5-3-9-23(14)17-20-21-18(28-17)24-10-4-6-15(24)25/h14H,3-10H2,1-2H3,(H,19,26).
What are the key properties of N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide?
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide has a molecular weight of 404.50 g/mol, XLogP of 1.60, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-1-[5-(2-oxopyrrolidin-1-yl)-1,3,4-thiadiazol-2-yl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 46344951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).