5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide

C19H22N6O3 — CID 138007300

IUPAC5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC1CCC(NC(=O)c2cnn3ncccc23)CC1
InChIInChI=1S/C19H22N6O3/c1-2-16-17(20-11-28-16)19(27)24-13-7-5-12(6-8-13)23-18(26)14-10-22-25-15(14)4-3-9-21-25/h3-4,9-13H,2,5-8H2,1H3,(H,23,26)(H,24,27)
InChIKeyLKUOPBCOWVIXRZ-UHFFFAOYSA-N
MW382.42 g/mol
LogP1.75
Rot. Bonds5

About 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide

5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide (PubChem CID 138007300) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide
PubChem CID138007300
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC Name5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide
SMILESCCc1ocnc1C(=O)NC1CCC(NC(=O)c2cnn3ncccc23)CC1
InChIInChI=1S/C19H22N6O3/c1-2-16-17(20-11-28-16)19(27)24-13-7-5-12(6-8-13)23-18(26)14-10-22-25-15(14)4-3-9-21-25/h3-4,9-13H,2,5-8H2,1H3,(H,23,26)(H,24,27)
InChIKeyLKUOPBCOWVIXRZ-UHFFFAOYSA-N
XLogP1.75
TPSA114.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

5-ethyl-N-[(6R)-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-6-yl]-1,3-oxazole-4-carboxamide
CID 95774212
5-ethyl-N-[(3S)-5-oxo-1-(2-phenylethyl)pyrrolidin-3-yl]-1,3-oxazole-4-carboxamide
CID 25281084
N-cyclopentylpyrazolo[1,5-a]pyrazine-3-carboxamide
CID 103119999
N-[(3S)-1-(2,2-dimethylpropyl)-5-oxopyrrolidin-3-yl]-5-ethyl-1,3-oxazole-4-carboxamide
CID 25485689
ethyl 5-[2-(cyclohexylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973922
ethyl 5-[2-(cycloheptylcarbamoyl)phenyl]-1,3-oxazole-4-carboxylate
CID 20973901
N-[1-(2,2,2-trifluoroethyl)cyclopropyl]pyrazolo[1,5-b]pyridazine-3-carboxamide
CID 154842072
1-benzyl-N-cyclopentyl-5-ethylpyrazole-4-carboxamide
CID 78874188
N-cyclopropyl-5-ethyl-1-(2-methylphenyl)pyrazole-4-carboxamide
CID 42818270
5-tert-butyl-N-[4-(hydroxymethyl)cyclohexyl]-1,3-oxazole-4-carboxamide
CID 126838169
N-cyclopropyl-5-[2-[(4-methylphenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122887
5-ethyl-N-(4-methylcyclohexyl)-1-(4-methylphenyl)pyrazole-4-carboxamide
CID 46582332

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide (CID 138007300) is 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide is CCc1ocnc1C(=O)NC1CCC(NC(=O)c2cnn3ncccc23)CC1.
What is the InChIKey of 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide?
The InChIKey is LKUOPBCOWVIXRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-2-16-17(20-11-28-16)19(27)24-13-7-5-12(6-8-13)23-18(26)14-10-22-25-15(14)4-3-9-21-25/h3-4,9-13H,2,5-8H2,1H3,(H,23,26)(H,24,27).
What are the key properties of 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide?
5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide has a molecular weight of 382.42 g/mol, XLogP of 1.75, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-N-[4-(pyrazolo[1,5-b]pyridazine-3-carbonylamino)cyclohexyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 138007300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).