N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride

C6H9ClN2O2 — CID 146272451

IUPACN,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1cocn1.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-8(2)6(9)5-3-10-4-7-5;/h3-4H,1-2H3;1H
InChIKeyPHGSFJHADGIJQP-UHFFFAOYSA-N
MW176.60 g/mol
LogP0.80
Rot. Bonds1

About N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride

N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 146272451) has the molecular formula C6H9ClN2O2 and a molecular weight of 176.60 g/mol. Its IUPAC name is N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID146272451
Molecular FormulaC6H9ClN2O2
Molecular Weight176.60 g/mol
Exact Mass176.04
IUPAC NameN,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCN(C)C(=O)c1cocn1.Cl
InChIInChI=1S/C6H8N2O2.ClH/c1-8(2)6(9)5-3-10-4-7-5;/h3-4H,1-2H3;1H
InChIKeyPHGSFJHADGIJQP-UHFFFAOYSA-N
XLogP0.80
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.60
LogP ≤ 50.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride (CID 146272451) is N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride is CN(C)C(=O)c1cocn1.Cl.
What is the InChIKey of N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is PHGSFJHADGIJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2.ClH/c1-8(2)6(9)5-3-10-4-7-5;/h3-4H,1-2H3;1H.
What are the key properties of N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride?
N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 176.60 g/mol, XLogP of 0.80, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 146272451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).