3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide

C17H21N3O2 — CID 119451162

IUPAC3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
SMILESCc1nc(CCC(=O)NC2CCNC2)oc1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12-17(13-5-3-2-4-6-13)22-16(19-12)8-7-15(21)20-14-9-10-18-11-14/h2-6,14,18H,7-11H2,1H3,(H,20,21)
InChIKeyKTUDGFBYBJUQAX-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.06
Rot. Bonds5

About 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide

3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide (PubChem CID 119451162) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide.

Molecular Properties

Compound Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
PubChem CID119451162
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
SMILESCc1nc(CCC(=O)NC2CCNC2)oc1-c1ccccc1
InChIInChI=1S/C17H21N3O2/c1-12-17(13-5-3-2-4-6-13)22-16(19-12)8-7-15(21)20-14-9-10-18-11-14/h2-6,14,18H,7-11H2,1H3,(H,20,21)
InChIKeyKTUDGFBYBJUQAX-UHFFFAOYSA-N
XLogP2.06
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230028
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide
CID 166280168
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
CID 120576879
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 120944811
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-piperazin-1-ylethyl)propanamide
CID 119446392
N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111425792
N-(2-amino-1-cyclopropylethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 119614530
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
1-[4-(aminomethyl)piperidin-1-yl]-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propan-1-one;dihydrochloride
CID 119423293
N-(3-amino-2-methylpropyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119996718
3-[5-(2-fluorophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451502
3-[5-(2-bromophenyl)-1,3-oxazol-2-yl]-N-pyrrolidin-3-ylpropanamide
CID 119451068

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide?
The IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide (CID 119451162) is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide.
What is the SMILES notation for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide?
The canonical SMILES for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide is Cc1nc(CCC(=O)NC2CCNC2)oc1-c1ccccc1.
What is the InChIKey of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide?
The InChIKey is KTUDGFBYBJUQAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c1-12-17(13-5-3-2-4-6-13)22-16(19-12)8-7-15(21)20-14-9-10-18-11-14/h2-6,14,18H,7-11H2,1H3,(H,20,21).
What are the key properties of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide?
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide has a molecular weight of 299.37 g/mol, XLogP of 2.06, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide is sourced from PubChem (CID 119451162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).