2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

C14H15N5O4 — CID 91819244

IUPAC2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1cc(-c2noc(CNC(=O)Cc3c(C)noc3C)n2)no1
InChIInChI=1S/C14H15N5O4/c1-7-4-11(18-21-7)14-16-13(23-19-14)6-15-12(20)5-10-8(2)17-22-9(10)3/h4H,5-6H2,1-3H3,(H,15,20)
InChIKeyZBZXZANACXFXOU-UHFFFAOYSA-N
MW317.31 g/mol
LogP1.50
Rot. Bonds5

About 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide

2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (PubChem CID 91819244) has the molecular formula C14H15N5O4 and a molecular weight of 317.31 g/mol. Its IUPAC name is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
PubChem CID91819244
Molecular FormulaC14H15N5O4
Molecular Weight317.31 g/mol
Exact Mass317.11
IUPAC Name2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide
SMILESCc1cc(-c2noc(CNC(=O)Cc3c(C)noc3C)n2)no1
InChIInChI=1S/C14H15N5O4/c1-7-4-11(18-21-7)14-16-13(23-19-14)6-15-12(20)5-10-8(2)17-22-9(10)3/h4H,5-6H2,1-3H3,(H,15,20)
InChIKeyZBZXZANACXFXOU-UHFFFAOYSA-N
XLogP1.50
TPSA120.08 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]pyridine-4-carboxamide
CID 91819231
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-4-pyrrol-1-ylbenzamide
CID 91819179
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-(6-oxopyridazin-1-yl)acetamide
CID 91819251
N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-2-methylsulfanylpyridine-3-carboxamide
CID 91819274
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 30272063
(1S)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohex-3-ene-1-carboxamide
CID 100758179
2-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]-N-[(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)methyl]acetamide
CID 112809164
N-benzyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 18194355
(Z)-3-(2,5-difluorophenyl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-enamide
CID 91819276
N-[(2-chloro-6-methylphenyl)methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 23654563
N-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]methyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 122322260
3-(2-methoxyphenyl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]-1H-pyrazole-5-carboxamide
CID 91819241

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The IUPAC name of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide (CID 91819244) is 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide.
What is the SMILES notation for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The canonical SMILES for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is Cc1cc(-c2noc(CNC(=O)Cc3c(C)noc3C)n2)no1.
What is the InChIKey of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
The InChIKey is ZBZXZANACXFXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N5O4/c1-7-4-11(18-21-7)14-16-13(23-19-14)6-15-12(20)5-10-8(2)17-22-9(10)3/h4H,5-6H2,1-3H3,(H,15,20).
What are the key properties of 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide?
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide has a molecular weight of 317.31 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[[3-(5-methyl-1,2-oxazol-3-yl)-1,2,4-oxadiazol-5-yl]methyl]acetamide is sourced from PubChem (CID 91819244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).