2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide

C16H18N4O4 — CID 110244689

IUPAC2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide
SMILESCC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1nonc1C
InChIInChI=1S/C16H18N4O4/c1-3-11(17-15(21)8-12-10(2)18-24-19-12)9-20-13-6-4-5-7-14(13)23-16(20)22/h4-7,11H,3,8-9H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyJMVNLPYODKXXHF-LLVKDONJSA-N
MW330.34 g/mol
LogP1.42
Rot. Bonds6

About 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide

2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide (PubChem CID 110244689) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide
PubChem CID110244689
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide
SMILESCC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1nonc1C
InChIInChI=1S/C16H18N4O4/c1-3-11(17-15(21)8-12-10(2)18-24-19-12)9-20-13-6-4-5-7-14(13)23-16(20)22/h4-7,11H,3,8-9H2,1-2H3,(H,17,21)/t11-/m1/s1
InChIKeyJMVNLPYODKXXHF-LLVKDONJSA-N
XLogP1.42
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-[(4-methyl-1,2,5-oxadiazol-3-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 131905602
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]cyclopropanecarboxamide
CID 95856797
N-[(2S)-1-(2-oxo-[1,3]oxazolo[4,5-b]pyridin-3-yl)butan-2-yl]-2-(4-oxo-3H-phthalazin-1-yl)acetamide
CID 46961289
N-[(2S)-3-methyl-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]-2-thiophen-2-ylacetamide
CID 95791970
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
N-(1-hydroxy-4-methylpentan-2-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 61245308
N-(dicyclopropylmethyl)-3-(2-oxo-1,3-benzoxazol-3-yl)propanamide
CID 24620743
N-(4-ethyl-1H-pyrazol-5-yl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115680796
N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)propan-2-yl]pyrazine-2-carboxamide
CID 95856781
N-[(1R)-1-(4-methylphenyl)propyl]-4-(2-oxo-1,3-benzoxazol-3-yl)butanamide
CID 9296847
N-heptan-2-yl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 46515889

Frequently Asked Questions

What is the IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide?
The IUPAC name of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide (CID 110244689) is 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide.
What is the SMILES notation for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide?
The canonical SMILES for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide is CC[C@H](Cn1c(=O)oc2ccccc21)NC(=O)Cc1nonc1C.
What is the InChIKey of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide?
The InChIKey is JMVNLPYODKXXHF-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-3-11(17-15(21)8-12-10(2)18-24-19-12)9-20-13-6-4-5-7-14(13)23-16(20)22/h4-7,11H,3,8-9H2,1-2H3,(H,17,21)/t11-/m1/s1.
What are the key properties of 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide?
2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide has a molecular weight of 330.34 g/mol, XLogP of 1.42, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methyl-1,2,5-oxadiazol-3-yl)-N-[(2R)-1-(2-oxo-1,3-benzoxazol-3-yl)butan-2-yl]acetamide is sourced from PubChem (CID 110244689), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).