3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride

C19H27Cl2N3O2 — CID 120576879

IUPAC3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
SMILESCc1nc(CCC(=O)NC2CCCNC2C)oc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-13-16(9-6-12-20-13)22-17(23)10-11-18-21-14(2)19(24-18)15-7-4-3-5-8-15;;/h3-5,7-8,13,16,20H,6,9-12H2,1-2H3,(H,22,23);2*1H
InChIKeyBTNLKTCFCJVFBN-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.68
Rot. Bonds5

About 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride

3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride (PubChem CID 120576879) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride.

Molecular Properties

Compound Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
PubChem CID120576879
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC Name3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride
SMILESCc1nc(CCC(=O)NC2CCCNC2C)oc1-c1ccccc1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-13-16(9-6-12-20-13)22-17(23)10-11-18-21-14(2)19(24-18)15-7-4-3-5-8-15;;/h3-5,7-8,13,16,20H,6,9-12H2,1-2H3,(H,22,23);2*1H
InChIKeyBTNLKTCFCJVFBN-UHFFFAOYSA-N
XLogP3.68
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-pyrrolidin-3-ylpropanamide
CID 119451162
4-[3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanoylamino]cyclohexane-1-carboxylic acid
CID 119230028
N-(2-methylpiperidin-3-yl)-2-phenylacetamide;hydrochloride
CID 120574528
3-[5-(4-bromophenyl)-4-methyl-1,3-oxazol-2-yl]-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512168
3-[5-(2-chlorophenyl)-1,3-oxazol-2-yl]-N-(2-methylpiperidin-3-yl)propanamide
CID 120577468
N-(2-amino-1-cyclopropylethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 119614530
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-methyl-4,5,6,7-tetrahydro-3H-benzimidazol-5-yl)propanamide
CID 166280168
N-(2-aminoethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide;dihydrochloride
CID 119383262
N-(2-cyclopentyl-2-hydroxyethyl)-3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)propanamide
CID 111425792
3-(2-methoxyphenyl)-N-(2-methylpiperidin-3-yl)propanamide
CID 120573713
N-(2-methylpiperidin-3-yl)-3-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)propanamide;hydrochloride
CID 120575981

Frequently Asked Questions

What is the IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride?
The IUPAC name of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride (CID 120576879) is 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride.
What is the SMILES notation for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride?
The canonical SMILES for 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride is Cc1nc(CCC(=O)NC2CCCNC2C)oc1-c1ccccc1.Cl.Cl.
What is the InChIKey of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride?
The InChIKey is BTNLKTCFCJVFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-13-16(9-6-12-20-13)22-17(23)10-11-18-21-14(2)19(24-18)15-7-4-3-5-8-15;;/h3-5,7-8,13,16,20H,6,9-12H2,1-2H3,(H,22,23);2*1H.
What are the key properties of 3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride?
3-(4-methyl-5-phenyl-1,3-oxazol-2-yl)-N-(2-methylpiperidin-3-yl)propanamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.68, 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-(2-methylpiperidin-3-yl)propanamide;dihydrochloride is sourced from PubChem (CID 120576879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).