2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one

C18H19N5O2 — CID 126936419

IUPAC2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C18H19N5O2/c24-17-8-7-16(13-2-1-9-19-12-13)22-23(17)15-5-3-14(4-6-15)21-18-20-10-11-25-18/h1-2,7-12,14-15H,3-6H2,(H,20,21)
InChIKeyLFROBSSLVJIXQW-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.89
Rot. Bonds4

About 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one

2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one (PubChem CID 126936419) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
PubChem CID126936419
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one
SMILESO=c1ccc(-c2cccnc2)nn1C1CCC(Nc2ncco2)CC1
InChIInChI=1S/C18H19N5O2/c24-17-8-7-16(13-2-1-9-19-12-13)22-23(17)15-5-3-14(4-6-15)21-18-20-10-11-25-18/h1-2,7-12,14-15H,3-6H2,(H,20,21)
InChIKeyLFROBSSLVJIXQW-UHFFFAOYSA-N
XLogP2.89
TPSA85.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The IUPAC name of 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one (CID 126936419) is 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one.
What is the SMILES notation for 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The canonical SMILES for 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one is O=c1ccc(-c2cccnc2)nn1C1CCC(Nc2ncco2)CC1.
What is the InChIKey of 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
The InChIKey is LFROBSSLVJIXQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c24-17-8-7-16(13-2-1-9-19-12-13)22-23(17)15-5-3-14(4-6-15)21-18-20-10-11-25-18/h1-2,7-12,14-15H,3-6H2,(H,20,21).
What are the key properties of 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one?
2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one has a molecular weight of 337.38 g/mol, XLogP of 2.89, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(1,3-oxazol-2-ylamino)cyclohexyl]-6-pyridin-3-ylpyridazin-3-one is sourced from PubChem (CID 126936419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).