6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one

C14H16N4O3 — CID 126939086

IUPAC6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1ncco1
InChIInChI=1S/C14H16N4O3/c19-13-4-3-10(9-1-2-9)17-18(13)12-8-20-7-11(12)16-14-15-5-6-21-14/h3-6,9,11-12H,1-2,7-8H2,(H,15,16)
InChIKeySXCRDDLOKXMBBF-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.16
Rot. Bonds4

About 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one

6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one (PubChem CID 126939086) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one.

Molecular Properties

Compound Name6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
PubChem CID126939086
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
SMILESO=c1ccc(C2CC2)nn1C1COCC1Nc1ncco1
InChIInChI=1S/C14H16N4O3/c19-13-4-3-10(9-1-2-9)17-18(13)12-8-20-7-11(12)16-14-15-5-6-21-14/h3-6,9,11-12H,1-2,7-8H2,(H,15,16)
InChIKeySXCRDDLOKXMBBF-UHFFFAOYSA-N
XLogP1.16
TPSA82.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

6-cyclopropyl-2-[4-[(6-cyclopropylpyridazin-3-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939045
2-[4-[(5-chloropyrimidin-2-yl)amino]oxolan-3-yl]-6-cyclopropylpyridazin-3-one
CID 126939019
6-cyclopropyl-2-[4-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]oxolan-3-yl]pyridazin-3-one
CID 126939021
6-(3-methoxyphenyl)-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126939969
6-cyclopropyl-2-[4-(cyclopropylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939029
6-cyclopropyl-2-[4-(quinolin-4-ylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939070
6-cyclopropyl-2-[4-[(4-methylquinolin-2-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126939094
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]-6-pyridin-3-ylpyridazin-3-one
CID 126940116
6-cyclopropyl-2-[4-(2,3-dihydro-1-benzofuran-5-ylmethylamino)oxolan-3-yl]pyridazin-3-one
CID 126939073
6-pyridin-3-yl-2-[4-(1,3-thiazol-2-ylamino)oxolan-3-yl]pyridazin-3-one
CID 126940106
2-[4-[(6-cyclobutylpyrimidin-4-yl)amino]oxolan-3-yl]pyridazin-3-one
CID 126938676
6-[[4-(3-methyl-6-oxopyridazin-1-yl)oxolan-3-yl]amino]pyridine-3-carbonitrile
CID 126938812

Frequently Asked Questions

What is the IUPAC name of 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
The IUPAC name of 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one (CID 126939086) is 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one.
What is the SMILES notation for 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
The canonical SMILES for 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one is O=c1ccc(C2CC2)nn1C1COCC1Nc1ncco1.
What is the InChIKey of 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
The InChIKey is SXCRDDLOKXMBBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c19-13-4-3-10(9-1-2-9)17-18(13)12-8-20-7-11(12)16-14-15-5-6-21-14/h3-6,9,11-12H,1-2,7-8H2,(H,15,16).
What are the key properties of 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one?
6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one has a molecular weight of 288.31 g/mol, XLogP of 1.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclopropyl-2-[4-(1,3-oxazol-2-ylamino)oxolan-3-yl]pyridazin-3-one is sourced from PubChem (CID 126939086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).