5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

C15H20N4O4 — CID 91792727

IUPAC5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCOCc1noc(CCNC(=O)c2c(C)[nH]c(C(C)=O)c2C)n1
InChIInChI=1S/C15H20N4O4/c1-8-13(9(2)17-14(8)10(3)20)15(21)16-6-5-12-18-11(7-22-4)19-23-12/h17H,5-7H2,1-4H3,(H,16,21)
InChIKeyHGPONIXMRMFJTP-UHFFFAOYSA-N
MW320.35 g/mol
LogP1.34
Rot. Bonds7

About 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide

5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (PubChem CID 91792727) has the molecular formula C15H20N4O4 and a molecular weight of 320.35 g/mol. Its IUPAC name is 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
PubChem CID91792727
Molecular FormulaC15H20N4O4
Molecular Weight320.35 g/mol
Exact Mass320.15
IUPAC Name5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide
SMILESCOCc1noc(CCNC(=O)c2c(C)[nH]c(C(C)=O)c2C)n1
InChIInChI=1S/C15H20N4O4/c1-8-13(9(2)17-14(8)10(3)20)15(21)16-6-5-12-18-11(7-22-4)19-23-12/h17H,5-7H2,1-4H3,(H,16,21)
InChIKeyHGPONIXMRMFJTP-UHFFFAOYSA-N
XLogP1.34
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.35
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The IUPAC name of 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide (CID 91792727) is 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide.
What is the SMILES notation for 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The canonical SMILES for 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is COCc1noc(CCNC(=O)c2c(C)[nH]c(C(C)=O)c2C)n1.
What is the InChIKey of 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
The InChIKey is HGPONIXMRMFJTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O4/c1-8-13(9(2)17-14(8)10(3)20)15(21)16-6-5-12-18-11(7-22-4)19-23-12/h17H,5-7H2,1-4H3,(H,16,21).
What are the key properties of 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide?
5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide has a molecular weight of 320.35 g/mol, XLogP of 1.34, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-2,4-dimethyl-1H-pyrrole-3-carboxamide is sourced from PubChem (CID 91792727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).