N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide

C20H23N5O5 — CID 21343591

IUPACN-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)NC(CNC(=O)CC1CC(c2ccc(-c3noc(C)n3)cc2)=NO1)C(C)=O
InChIInChI=1S/C20H23N5O5/c1-11(26)18(22-12(2)27)10-21-19(28)9-16-8-17(24-30-16)14-4-6-15(7-5-14)20-23-13(3)29-25-20/h4-7,16,18H,8-10H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyIQBUGQGRLMECIN-UHFFFAOYSA-N
MW413.43 g/mol
LogP1.14
Rot. Bonds8

About N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide

N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide (PubChem CID 21343591) has the molecular formula C20H23N5O5 and a molecular weight of 413.43 g/mol. Its IUPAC name is N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide.

Molecular Properties

Compound NameN-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide
PubChem CID21343591
Molecular FormulaC20H23N5O5
Molecular Weight413.43 g/mol
Exact Mass413.17
IUPAC NameN-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide
SMILESCC(=O)NC(CNC(=O)CC1CC(c2ccc(-c3noc(C)n3)cc2)=NO1)C(C)=O
InChIInChI=1S/C20H23N5O5/c1-11(26)18(22-12(2)27)10-21-19(28)9-16-8-17(24-30-16)14-4-6-15(7-5-14)20-23-13(3)29-25-20/h4-7,16,18H,8-10H2,1-3H3,(H,21,28)(H,22,27)
InChIKeyIQBUGQGRLMECIN-UHFFFAOYSA-N
XLogP1.14
TPSA135.78 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The IUPAC name of N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide (CID 21343591) is N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide.
What is the SMILES notation for N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The canonical SMILES for N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide is CC(=O)NC(CNC(=O)CC1CC(c2ccc(-c3noc(C)n3)cc2)=NO1)C(C)=O.
What is the InChIKey of N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
The InChIKey is IQBUGQGRLMECIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O5/c1-11(26)18(22-12(2)27)10-21-19(28)9-16-8-17(24-30-16)14-4-6-15(7-5-14)20-23-13(3)29-25-20/h4-7,16,18H,8-10H2,1-3H3,(H,21,28)(H,22,27).
What are the key properties of N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide?
N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide has a molecular weight of 413.43 g/mol, XLogP of 1.14, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamido-3-oxobutyl)-2-[3-[4-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-4,5-dihydro-1,2-oxazol-5-yl]acetamide is sourced from PubChem (CID 21343591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).