N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride

C20H24Cl2N4O2 — CID 119526848

IUPACN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cc(-c3cccnc3)on2)cc1.Cl.Cl
InChIInChI=1S/C20H22N4O2.2ClH/c1-13(2)14-5-7-15(8-6-14)17(21)12-23-20(25)18-10-19(26-24-18)16-4-3-9-22-11-16;;/h3-11,13,17H,12,21H2,1-2H3,(H,23,25);2*1H
InChIKeySCFFKPGSWZTHLY-UHFFFAOYSA-N
MW423.34 g/mol
LogP4.13
Rot. Bonds6

About N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride (PubChem CID 119526848) has the molecular formula C20H24Cl2N4O2 and a molecular weight of 423.34 g/mol. Its IUPAC name is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
PubChem CID119526848
Molecular FormulaC20H24Cl2N4O2
Molecular Weight423.34 g/mol
Exact Mass422.13
IUPAC NameN-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCC(C)c1ccc(C(N)CNC(=O)c2cc(-c3cccnc3)on2)cc1.Cl.Cl
InChIInChI=1S/C20H22N4O2.2ClH/c1-13(2)14-5-7-15(8-6-14)17(21)12-23-20(25)18-10-19(26-24-18)16-4-3-9-22-11-16;;/h3-11,13,17H,12,21H2,1-2H3,(H,23,25);2*1H
InChIKeySCFFKPGSWZTHLY-UHFFFAOYSA-N
XLogP4.13
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.34
LogP ≤ 54.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]pyridine-3-carboxamide;dihydrochloride
CID 119526338
N-ethyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 170210039
N-[2-(4-chlorophenyl)propyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 171470034
N-[(4-fluorophenyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 52986105
5-pyridin-3-yl-N-[1-(3,4,5-trimethoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 55780169
5-pyridin-3-yl-N-(3,3,3-trifluoro-2-piperazin-1-ylpropyl)-1,2-oxazole-3-carboxamide
CID 120810621
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-fluoropyridine-4-carboxamide;dihydrochloride
CID 119525380
N-(2-hydroxypropyl)-5-phenyl-1,2-oxazole-3-carboxamide
CID 43418328
N-[(1-hydroxycyclobutyl)methyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 111445679
N-(3-amino-4-methylpentyl)-N-methyl-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 119660427
N-[4-(1-phenylethylamino)phenyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide
CID 48500589

Frequently Asked Questions

What is the IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The IUPAC name of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride (CID 119526848) is N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The canonical SMILES for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride is CC(C)c1ccc(C(N)CNC(=O)c2cc(-c3cccnc3)on2)cc1.Cl.Cl.
What is the InChIKey of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The InChIKey is SCFFKPGSWZTHLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2.2ClH/c1-13(2)14-5-7-15(8-6-14)17(21)12-23-20(25)18-10-19(26-24-18)16-4-3-9-22-11-16;;/h3-11,13,17H,12,21H2,1-2H3,(H,23,25);2*1H.
What are the key properties of N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride has a molecular weight of 423.34 g/mol, XLogP of 4.13, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-pyridin-3-yl-1,2-oxazole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119526848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).