3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide

C13H16N2O2 — CID 173139178

IUPAC3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(C2=NCCO2)c1
InChIInChI=1S/C13H16N2O2/c1-9(2)15-12(16)10-4-3-5-11(8-10)13-14-6-7-17-13/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyOYJYIDWQAJXISS-UHFFFAOYSA-N
MW232.28 g/mol
LogP1.60
Rot. Bonds3

About 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide

3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide (PubChem CID 173139178) has the molecular formula C13H16N2O2 and a molecular weight of 232.28 g/mol. Its IUPAC name is 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
PubChem CID173139178
Molecular FormulaC13H16N2O2
Molecular Weight232.28 g/mol
Exact Mass232.12
IUPAC Name3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide
SMILESCC(C)NC(=O)c1cccc(C2=NCCO2)c1
InChIInChI=1S/C13H16N2O2/c1-9(2)15-12(16)10-4-3-5-11(8-10)13-14-6-7-17-13/h3-5,8-9H,6-7H2,1-2H3,(H,15,16)
InChIKeyOYJYIDWQAJXISS-UHFFFAOYSA-N
XLogP1.60
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.28
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3-[4,6-bis[3-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1,3,5-triazin-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 135250784
2-[[3-(4,5-dihydro-1,3-oxazol-2-yl)benzoyl]amino]ethyl 2-[2-[2-[2-[[3-(4,5-dihydro-1,3-oxazol-2-yl)benzoyl]amino]ethoxycarbonyl]cyclohexyl]oxycyclobutyl]oxycyclohexane-1-carboxylate
CID 139312923
N-[4-(4,5-dihydro-1,3-oxazol-2-yl)phenyl]-3-fluorobenzamide
CID 4591992
3-[4-(hydroxymethyl)phenyl]-N-propan-2-ylbenzamide
CID 39782664
3-(125I)iodo-N-propan-2-yl(125I)benzamide
CID 177469648
3-chloro-N-propan-2-ylbenzamide
CID 669184
N-propan-2-yl-3-propan-2-yloxybenzamide
CID 8779048
3-(1,3-benzodioxol-5-yl)-N-(1-methoxypropan-2-yl)benzamide
CID 118785915
3-[5-(2-bromophenyl)-1,2,4-oxadiazol-3-yl]-N-propan-2-ylbenzamide
CID 50778877
N-propan-2-yl-5,6-dihydro-4H-1,3-oxazine-2-carboxamide
CID 20523776
3-(4-piperidin-1-ylsulfonylphenyl)-N-propan-2-ylbenzamide
CID 46385925
3-[6-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidin-3-yl]-N-propan-2-ylbenzamide
CID 59603987

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide?
The IUPAC name of 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide (CID 173139178) is 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide.
What is the SMILES notation for 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide?
The canonical SMILES for 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide is CC(C)NC(=O)c1cccc(C2=NCCO2)c1.
What is the InChIKey of 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide?
The InChIKey is OYJYIDWQAJXISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O2/c1-9(2)15-12(16)10-4-3-5-11(8-10)13-14-6-7-17-13/h3-5,8-9H,6-7H2,1-2H3,(H,15,16).
What are the key properties of 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide?
3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide has a molecular weight of 232.28 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dihydro-1,3-oxazol-2-yl)-N-propan-2-ylbenzamide is sourced from PubChem (CID 173139178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).