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

C19H27Cl2N3O2 — CID 120601511

IUPACN-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
SMILESCC1CC(NC(=O)CCCc2ncc(-c3ccccc3)o2)CCN1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-14-12-16(10-11-20-14)22-18(23)8-5-9-19-21-13-17(24-19)15-6-3-2-4-7-15;;/h2-4,6-7,13-14,16,20H,5,8-12H2,1H3,(H,22,23);2*1H
InChIKeyNIJVSBXFUBVFLA-UHFFFAOYSA-N
MW400.35 g/mol
LogP3.76
Rot. Bonds6

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

N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride (PubChem CID 120601511) has the molecular formula C19H27Cl2N3O2 and a molecular weight of 400.35 g/mol. Its IUPAC name is N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
PubChem CID120601511
Molecular FormulaC19H27Cl2N3O2
Molecular Weight400.35 g/mol
Exact Mass399.15
IUPAC NameN-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
SMILESCC1CC(NC(=O)CCCc2ncc(-c3ccccc3)o2)CCN1.Cl.Cl
InChIInChI=1S/C19H25N3O2.2ClH/c1-14-12-16(10-11-20-14)22-18(23)8-5-9-19-21-13-17(24-19)15-6-3-2-4-7-15;;/h2-4,6-7,13-14,16,20H,5,8-12H2,1H3,(H,22,23);2*1H
InChIKeyNIJVSBXFUBVFLA-UHFFFAOYSA-N
XLogP3.76
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 53.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-methylcyclohexyl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
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N-(1-methylpiperidin-4-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 30901827
4-(5-phenyl-1,3-oxazol-2-yl)-N-(piperidin-3-ylmethyl)butanamide;dihydrochloride
CID 119460102
1-(2,3-dimethylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 120572312
N-phenyl-4-(5-phenyl-1,3-oxazol-2-yl)butanamide
CID 38885502
N-(1,1-dioxothiolan-3-yl)-3-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 18137647
N-(2-methylpiperidin-4-yl)-2-phenylacetamide;hydrochloride
CID 120599481
N-(2-amino-1-cyclopropylethyl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride
CID 119613032
4-(5-phenyl-1,3-oxazol-2-yl)-N-(2-pyrrolidin-3-ylethyl)butanamide
CID 119533664
1-(2-methylpiperazin-1-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butan-1-one
CID 119470188
N-(2-methylpiperidin-4-yl)-4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanamide;hydrochloride
CID 120599434
cis-(1S,3R)-3-[3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]propanoylamino]cyclopentane-1-carboxylic acid
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Frequently Asked Questions

What is the IUPAC name of N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
The IUPAC name of N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride (CID 120601511) is N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride.
What is the SMILES notation for N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
The canonical SMILES for N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride is CC1CC(NC(=O)CCCc2ncc(-c3ccccc3)o2)CCN1.Cl.Cl.
What is the InChIKey of N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
The InChIKey is NIJVSBXFUBVFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O2.2ClH/c1-14-12-16(10-11-20-14)22-18(23)8-5-9-19-21-13-17(24-19)15-6-3-2-4-7-15;;/h2-4,6-7,13-14,16,20H,5,8-12H2,1H3,(H,22,23);2*1H.
What are the key properties of N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride?
N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride has a molecular weight of 400.35 g/mol, XLogP of 3.76, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpiperidin-4-yl)-4-(5-phenyl-1,3-oxazol-2-yl)butanamide;dihydrochloride is sourced from PubChem (CID 120601511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).