N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide

C8H12N2O2 — CID 21323661

IUPACN-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C8H12N2O2/c1-4-7(11)10-8-9-5(2)6(3)12-8/h4H2,1-3H3,(H,9,10,11)
InChIKeyVBUGKZHQHHXZEJ-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.64
Rot. Bonds2

About N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide

N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide (PubChem CID 21323661) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide.

Molecular Properties

Compound NameN-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide
PubChem CID21323661
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide
SMILESCCC(=O)Nc1nc(C)c(C)o1
InChIInChI=1S/C8H12N2O2/c1-4-7(11)10-8-9-5(2)6(3)12-8/h4H2,1-3H3,(H,9,10,11)
InChIKeyVBUGKZHQHHXZEJ-UHFFFAOYSA-N
XLogP1.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-methylurea
CID 110907890
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(3-hydroxybutyl)urea
CID 111336661
N-(4,5-dimethyl-1,3-oxazol-2-yl)-4-(2-hydroxyethyl)piperazine-1-carboxamide
CID 110923496
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(4-hydroxycyclohexyl)urea
CID 47433405
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(5-hydroxy-4,4-dimethylpentyl)urea
CID 111486789
3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-(2-hydroxyethyl)-1-prop-2-enylurea
CID 111423600
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[(2S)-3,3-dimethyl-1-phenylbutan-2-yl]urea
CID 97317222
N-(2-sulfanylidene-3H-1,3,4-oxadiazol-5-yl)propanamide
CID 45122976
1-(2-cyclopropyl-2-hydroxyethyl)-3-(4,5-dimethyl-1,3-oxazol-2-yl)-1-methylurea
CID 111862444
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-(1,1,1-trifluoro-3-phenylpropan-2-yl)urea
CID 71847486
2-(propanoylamino)-1,3-oxazole-5-carboxylic acid
CID 165486197
1-(4,5-dimethyl-1,3-oxazol-2-yl)-3-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]urea
CID 75405494

Frequently Asked Questions

What is the IUPAC name of N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide?
The IUPAC name of N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide (CID 21323661) is N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide.
What is the SMILES notation for N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide?
The canonical SMILES for N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide is CCC(=O)Nc1nc(C)c(C)o1.
What is the InChIKey of N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide?
The InChIKey is VBUGKZHQHHXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-7(11)10-8-9-5(2)6(3)12-8/h4H2,1-3H3,(H,9,10,11).
What are the key properties of N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide?
N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide has a molecular weight of 168.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4,5-dimethyl-1,3-oxazol-2-yl)propanamide is sourced from PubChem (CID 21323661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).