N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride

C16H17ClN6O3 — CID 171355828

IUPACN-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCCn1cc(NC(=O)c2coc(-c3ccnc(C)c3)n2)c(C(N)=O)n1.Cl
InChIInChI=1S/C16H16N6O3.ClH/c1-3-22-7-11(13(21-22)14(17)23)19-15(24)12-8-25-16(20-12)10-4-5-18-9(2)6-10;/h4-8H,3H2,1-2H3,(H2,17,23)(H,19,24);1H
InChIKeyCEYPPTJOTLBSLZ-UHFFFAOYSA-N
MW376.80 g/mol
LogP2.03
Rot. Bonds5

About N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride

N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (PubChem CID 171355828) has the molecular formula C16H17ClN6O3 and a molecular weight of 376.80 g/mol. Its IUPAC name is N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
PubChem CID171355828
Molecular FormulaC16H17ClN6O3
Molecular Weight376.80 g/mol
Exact Mass376.11
IUPAC NameN-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride
SMILESCCn1cc(NC(=O)c2coc(-c3ccnc(C)c3)n2)c(C(N)=O)n1.Cl
InChIInChI=1S/C16H16N6O3.ClH/c1-3-22-7-11(13(21-22)14(17)23)19-15(24)12-8-25-16(20-12)10-4-5-18-9(2)6-10;/h4-8H,3H2,1-2H3,(H2,17,23)(H,19,24);1H
InChIKeyCEYPPTJOTLBSLZ-UHFFFAOYSA-N
XLogP2.03
TPSA128.93 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.80
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The IUPAC name of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride (CID 171355828) is N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The canonical SMILES for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is CCn1cc(NC(=O)c2coc(-c3ccnc(C)c3)n2)c(C(N)=O)n1.Cl.
What is the InChIKey of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
The InChIKey is CEYPPTJOTLBSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O3.ClH/c1-3-22-7-11(13(21-22)14(17)23)19-15(24)12-8-25-16(20-12)10-4-5-18-9(2)6-10;/h4-8H,3H2,1-2H3,(H2,17,23)(H,19,24);1H.
What are the key properties of N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride?
N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride has a molecular weight of 376.80 g/mol, XLogP of 2.03, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-carbamoyl-1-ethylpyrazol-4-yl)-2-(2-methyl-4-pyridinyl)-1,3-oxazole-4-carboxamide;hydrochloride is sourced from PubChem (CID 171355828), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).