N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

C21H26N4O3 — CID 126934947

IUPACN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)c1noc2c1CCCC2
InChIInChI=1S/C21H26N4O3/c26-19-12-11-17(13-5-6-13)23-25(19)15-9-7-14(8-10-15)22-21(27)20-16-3-1-2-4-18(16)28-24-20/h11-15H,1-10H2,(H,22,27)
InChIKeyGPNZMIAMHNNBEA-UHFFFAOYSA-N
MW382.46 g/mol
LogP2.90
Rot. Bonds4

About N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide

N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (PubChem CID 126934947) has the molecular formula C21H26N4O3 and a molecular weight of 382.46 g/mol. Its IUPAC name is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.

Molecular Properties

Compound NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
PubChem CID126934947
Molecular FormulaC21H26N4O3
Molecular Weight382.46 g/mol
Exact Mass382.20
IUPAC NameN-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
SMILESO=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)c1noc2c1CCCC2
InChIInChI=1S/C21H26N4O3/c26-19-12-11-17(13-5-6-13)23-25(19)15-9-7-14(8-10-15)22-21(27)20-16-3-1-2-4-18(16)28-24-20/h11-15H,1-10H2,(H,22,27)
InChIKeyGPNZMIAMHNNBEA-UHFFFAOYSA-N
XLogP2.90
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.46
LogP ≤ 52.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclohexyl-5,6,7,8-tetrahydro-4H-cyclohepta[d][1,2]oxazole-3-carboxamide
CID 3245435
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]quinoxaline-6-carboxamide
CID 126934963
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-2,5-dimethylpyrazole-3-carboxamide
CID 126934979
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-6-(dimethylamino)pyridazine-3-carboxamide
CID 126934997
6-cyclopropyl-2-[[1-(4,5,6,7-tetrahydro-1,2-benzoxazole-3-carbonyl)piperidin-4-yl]methyl]pyridazin-3-one
CID 126865162
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-3H-benzimidazole-5-carboxamide
CID 126934957
2-cyclobutyl-6-cyclopropylpyridazin-3-one
CID 126857338
N-[(5S)-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridin-5-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 124892973
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 126935209
N-(2,3-dihydro-1H-inden-1-yl)-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 59159975
N-[1-(oxan-4-yl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 127398339
N-[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 71931590

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The IUPAC name of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide (CID 126934947) is N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide.
What is the SMILES notation for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The canonical SMILES for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is O=C(NC1CCC(n2nc(C3CC3)ccc2=O)CC1)c1noc2c1CCCC2.
What is the InChIKey of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
The InChIKey is GPNZMIAMHNNBEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O3/c26-19-12-11-17(13-5-6-13)23-25(19)15-9-7-14(8-10-15)22-21(27)20-16-3-1-2-4-18(16)28-24-20/h11-15H,1-10H2,(H,22,27).
What are the key properties of N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide?
N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide has a molecular weight of 382.46 g/mol, XLogP of 2.90, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-cyclopropyl-6-oxopyridazin-1-yl)cyclohexyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide is sourced from PubChem (CID 126934947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).