N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H16Cl2N4O2 — CID 19495821

IUPACN-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3c(Cl)cccc3Cl)C2)c(C)n1
InChIInChI=1S/C16H16Cl2N4O2/c1-3-22-8-10(9(2)20-22)13-7-14(24-21-13)16(23)19-15-11(17)5-4-6-12(15)18/h4-6,8,14H,3,7H2,1-2H3,(H,19,23)
InChIKeyYNENAOZSHSRGCE-UHFFFAOYSA-N
MW367.24 g/mol
LogP3.65
Rot. Bonds4

About N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 19495821) has the molecular formula C16H16Cl2N4O2 and a molecular weight of 367.24 g/mol. Its IUPAC name is N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID19495821
Molecular FormulaC16H16Cl2N4O2
Molecular Weight367.24 g/mol
Exact Mass366.07
IUPAC NameN-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCCn1cc(C2=NOC(C(=O)Nc3c(Cl)cccc3Cl)C2)c(C)n1
InChIInChI=1S/C16H16Cl2N4O2/c1-3-22-8-10(9(2)20-22)13-7-14(24-21-13)16(23)19-15-11(17)5-4-6-12(15)18/h4-6,8,14H,3,7H2,1-2H3,(H,19,23)
InChIKeyYNENAOZSHSRGCE-UHFFFAOYSA-N
XLogP3.65
TPSA68.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.24
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 19495821) is N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is CCn1cc(C2=NOC(C(=O)Nc3c(Cl)cccc3Cl)C2)c(C)n1.
What is the InChIKey of N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is YNENAOZSHSRGCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16Cl2N4O2/c1-3-22-8-10(9(2)20-22)13-7-14(24-21-13)16(23)19-15-11(17)5-4-6-12(15)18/h4-6,8,14H,3,7H2,1-2H3,(H,19,23).
What are the key properties of N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 367.24 g/mol, XLogP of 3.65, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dichlorophenyl)-3-(1-ethyl-3-methylpyrazol-4-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 19495821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).