N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

C16H16N4O4 — CID 70719427

IUPACN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOCc1noc(CCNC(=O)c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C16H16N4O4/c1-22-10-14-18-15(24-20-14)7-8-17-16(21)12-9-13(23-19-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,17,21)
InChIKeyBVBGHGLULYMRRL-UHFFFAOYSA-N
MW328.33 g/mol
LogP1.84
Rot. Bonds7

About N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide

N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (PubChem CID 70719427) has the molecular formula C16H16N4O4 and a molecular weight of 328.33 g/mol. Its IUPAC name is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
PubChem CID70719427
Molecular FormulaC16H16N4O4
Molecular Weight328.33 g/mol
Exact Mass328.12
IUPAC NameN-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
SMILESCOCc1noc(CCNC(=O)c2cc(-c3ccccc3)on2)n1
InChIInChI=1S/C16H16N4O4/c1-22-10-14-18-15(24-20-14)7-8-17-16(21)12-9-13(23-19-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,17,21)
InChIKeyBVBGHGLULYMRRL-UHFFFAOYSA-N
XLogP1.84
TPSA103.28 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.33
LogP ≤ 51.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide (CID 70719427) is N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is COCc1noc(CCNC(=O)c2cc(-c3ccccc3)on2)n1.
What is the InChIKey of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
The InChIKey is BVBGHGLULYMRRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O4/c1-22-10-14-18-15(24-20-14)7-8-17-16(21)12-9-13(23-19-12)11-5-3-2-4-6-11/h2-6,9H,7-8,10H2,1H3,(H,17,21).
What are the key properties of N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide?
N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide has a molecular weight of 328.33 g/mol, XLogP of 1.84, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]ethyl]-5-phenyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 70719427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).