N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride

C13H18Cl2N4O2 — CID 119630359

IUPACN-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1cc(-c2ccncc2)on1.Cl.Cl
InChIInChI=1S/C13H16N4O2.2ClH/c1-13(2,14)8-16-12(18)10-7-11(19-17-10)9-3-5-15-6-4-9;;/h3-7H,8,14H2,1-2H3,(H,16,18);2*1H
InChIKeyKPSBPVNNKFVLJA-UHFFFAOYSA-N
MW333.22 g/mol
LogP2.05
Rot. Bonds4

About N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride

N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride (PubChem CID 119630359) has the molecular formula C13H18Cl2N4O2 and a molecular weight of 333.22 g/mol. Its IUPAC name is N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
PubChem CID119630359
Molecular FormulaC13H18Cl2N4O2
Molecular Weight333.22 g/mol
Exact Mass332.08
IUPAC NameN-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
SMILESCC(C)(N)CNC(=O)c1cc(-c2ccncc2)on1.Cl.Cl
InChIInChI=1S/C13H16N4O2.2ClH/c1-13(2,14)8-16-12(18)10-7-11(19-17-10)9-3-5-15-6-4-9;;/h3-7H,8,14H2,1-2H3,(H,16,18);2*1H
InChIKeyKPSBPVNNKFVLJA-UHFFFAOYSA-N
XLogP2.05
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.22
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
N-(2-hydroxy-2-phenylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 111335201
N-(2-amino-2-methylpropyl)-5-(3-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119630177
N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112845456
methyl 5-pyridin-4-yl-1,2-oxazole-3-carboxylate
CID 74891373
N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
CID 71090833
N-[(2S)-2-hydroxy-2-thiophen-3-ylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 96521382
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907101
N-[(2S)-2-cyclopropyl-2-hydroxypropyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 52907100
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838821
(2R)-4-methyl-2-[(5-pyridin-4-yl-1,2-oxazole-3-carbonyl)amino]pentanoic acid
CID 119364265
N-[[4-(4-fluorophenoxy)phenyl]methyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112838851

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The IUPAC name of N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride (CID 119630359) is N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride.
What is the SMILES notation for N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The canonical SMILES for N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride is CC(C)(N)CNC(=O)c1cc(-c2ccncc2)on1.Cl.Cl.
What is the InChIKey of N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
The InChIKey is KPSBPVNNKFVLJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O2.2ClH/c1-13(2,14)8-16-12(18)10-7-11(19-17-10)9-3-5-15-6-4-9;;/h3-7H,8,14H2,1-2H3,(H,16,18);2*1H.
What are the key properties of N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride?
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride has a molecular weight of 333.22 g/mol, XLogP of 2.05, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride is sourced from PubChem (CID 119630359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).