N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride

C8H10Cl2N4O2 — CID 118471591

IUPACN-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1cc(NC(=O)c2cocn2)cn1
InChIInChI=1S/C8H8N4O2.2ClH/c1-12-3-6(2-10-12)11-8(13)7-4-14-5-9-7;;/h2-5H,1H3,(H,11,13);2*1H
InChIKeyWFIHZPVWTNVXLQ-UHFFFAOYSA-N
MW265.10 g/mol
LogP1.50
Rot. Bonds2

About N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride

N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride (PubChem CID 118471591) has the molecular formula C8H10Cl2N4O2 and a molecular weight of 265.10 g/mol. Its IUPAC name is N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride
PubChem CID118471591
Molecular FormulaC8H10Cl2N4O2
Molecular Weight265.10 g/mol
Exact Mass264.02
IUPAC NameN-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride
SMILESCl.Cl.Cn1cc(NC(=O)c2cocn2)cn1
InChIInChI=1S/C8H8N4O2.2ClH/c1-12-3-6(2-10-12)11-8(13)7-4-14-5-9-7;;/h2-5H,1H3,(H,11,13);2*1H
InChIKeyWFIHZPVWTNVXLQ-UHFFFAOYSA-N
XLogP1.50
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.10
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-methylpyrazol-4-yl)pyridine-2-carboxamide
CID 47028121
6-[(1-methylpyrazol-4-yl)carbamoyl]pyridine-3-carboxylic acid
CID 43429931
N-(1-methylpyrazol-4-yl)-5-(propylamino)pyridine-2-carboxamide
CID 104640241
6-methyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 43074255
4-fluoro-N-(1-methylpyrazol-4-yl)benzamide
CID 60749610
2-chloro-5-fluoro-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 103891962
ethane;molecular hydrogen;N-phenyl-1,3-oxazole-4-carboxamide;propane
CID 145236697
5-chloro-6-hydrazinyl-N-(1-methylpyrazol-4-yl)pyridine-3-carboxamide
CID 62241771
N-[6-[ethyl(methyl)amino]-3-pyridinyl]-1,3-oxazole-4-carboxamide
CID 141173163
tert-butyl N-[4-(1,3-oxazole-4-carbonylamino)phenyl]carbamate
CID 137320728
ethane;2-methyl-N-(1-methylpyrazol-4-yl)propanamide
CID 178157560
4-bromo-3,5-dimethoxy-N-(1-methylpyrazol-4-yl)benzamide
CID 32606056

Frequently Asked Questions

What is the IUPAC name of N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride?
The IUPAC name of N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride (CID 118471591) is N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride?
The canonical SMILES for N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride is Cl.Cl.Cn1cc(NC(=O)c2cocn2)cn1.
What is the InChIKey of N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride?
The InChIKey is WFIHZPVWTNVXLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N4O2.2ClH/c1-12-3-6(2-10-12)11-8(13)7-4-14-5-9-7;;/h2-5H,1H3,(H,11,13);2*1H.
What are the key properties of N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride?
N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride has a molecular weight of 265.10 g/mol, XLogP of 1.50, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-methylpyrazol-4-yl)-1,3-oxazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 118471591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).