N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide

C9H12N2O3 — CID 79493303

IUPACN-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1ccon1
InChIInChI=1S/C9H12N2O3/c1-7(12)2-3-9(13)10-6-8-4-5-14-11-8/h4-5H,2-3,6H2,1H3,(H,10,13)
InChIKeyDVAPYWVEFVPVOM-UHFFFAOYSA-N
MW196.21 g/mol
LogP0.66
Rot. Bonds5

About N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide

N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide (PubChem CID 79493303) has the molecular formula C9H12N2O3 and a molecular weight of 196.21 g/mol. Its IUPAC name is N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide.

Molecular Properties

Compound NameN-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide
PubChem CID79493303
Molecular FormulaC9H12N2O3
Molecular Weight196.21 g/mol
Exact Mass196.08
IUPAC NameN-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide
SMILESCC(=O)CCC(=O)NCc1ccon1
InChIInChI=1S/C9H12N2O3/c1-7(12)2-3-9(13)10-6-8-4-5-14-11-8/h4-5H,2-3,6H2,1H3,(H,10,13)
InChIKeyDVAPYWVEFVPVOM-UHFFFAOYSA-N
XLogP0.66
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(methylamino)-N-(1,2-oxazol-3-ylmethyl)butanamide
CID 81170882
3-(ethylamino)-N-(1,2-oxazol-3-ylmethyl)propanamide
CID 81170893
2-(methylamino)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171210
4-(2-aminoethyl)-N-(1,2-oxazol-3-ylmethyl)heptanamide
CID 81170886
2-amino-N-[2-(1,2-oxazol-3-ylmethylamino)-2-oxoethyl]acetamide;hydrochloride
CID 167874068
1-amino-3-(1,2-oxazol-3-ylmethyl)urea
CID 81177768
1-(1,2-oxazol-3-ylmethyl)-3-propylurea
CID 115672343
2,2-dimethyl-3-(1,2-oxazol-3-ylmethylamino)-3-oxopropanoic acid
CID 82820653
1-methyl-N-(1,2-oxazol-3-ylmethyl)cyclopropane-1-carboxamide
CID 131086599
2-methyl-4-(1,2-oxazol-3-ylmethylamino)-4-oxo-2-propan-2-ylbutanoic acid
CID 81170966
2-[1-(aminomethyl)cyclohexyl]-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 113440200
2-(4-aminophenoxy)-N-(1,2-oxazol-3-ylmethyl)acetamide
CID 81171047

Frequently Asked Questions

What is the IUPAC name of N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide?
The IUPAC name of N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide (CID 79493303) is N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide.
What is the SMILES notation for N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide?
The canonical SMILES for N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide is CC(=O)CCC(=O)NCc1ccon1.
What is the InChIKey of N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide?
The InChIKey is DVAPYWVEFVPVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N2O3/c1-7(12)2-3-9(13)10-6-8-4-5-14-11-8/h4-5H,2-3,6H2,1H3,(H,10,13).
What are the key properties of N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide?
N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide has a molecular weight of 196.21 g/mol, XLogP of 0.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,2-oxazol-3-ylmethyl)-4-oxopentanamide is sourced from PubChem (CID 79493303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).