4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole

C16H15ClN4O2 — CID 134588395

IUPAC4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCc1ccc(-c2noc(C)c2COc2cc(C)c(Cl)nn2)cn1
InChIInChI=1S/C16H15ClN4O2/c1-9-6-14(19-20-16(9)17)22-8-13-11(3)23-21-15(13)12-5-4-10(2)18-7-12/h4-7H,8H2,1-3H3
InChIKeySMPAZIWYVIQBJV-UHFFFAOYSA-N
MW330.78 g/mol
LogP3.68
Rot. Bonds4

About 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole

4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole (PubChem CID 134588395) has the molecular formula C16H15ClN4O2 and a molecular weight of 330.78 g/mol. Its IUPAC name is 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole.

Molecular Properties

Compound Name4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
PubChem CID134588395
Molecular FormulaC16H15ClN4O2
Molecular Weight330.78 g/mol
Exact Mass330.09
IUPAC Name4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
SMILESCc1ccc(-c2noc(C)c2COc2cc(C)c(Cl)nn2)cn1
InChIInChI=1S/C16H15ClN4O2/c1-9-6-14(19-20-16(9)17)22-8-13-11(3)23-21-15(13)12-5-4-10(2)18-7-12/h4-7H,8H2,1-3H3
InChIKeySMPAZIWYVIQBJV-UHFFFAOYSA-N
XLogP3.68
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.78
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-(methoxymethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 147938955
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604405
4-(chloromethyl)-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole
CID 146272646
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridine-3-carboxamide
CID 134588619
ethyl 5-methyl-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxylate
CID 139529969
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-(1,1,1-trifluoro-2-methylpropan-2-yl)pyridazine-3-carboxamide
CID 134590463
(3-fluoroazetidin-1-yl)-[6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazin-3-yl]methanone
CID 134588483
N'-(1-methylcyclopentyl)-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboximidamide
CID 151219572
N-cyclopropyl-5-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyrazine-2-carboxamide
CID 134588252
N-(4-ethoxycyclohexyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134604565
N-(3-ethoxycyclobutyl)-6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]pyridazine-3-carboxamide
CID 134588347
6-[[5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazol-4-yl]methoxy]-N-[(3S)-oxan-3-yl]pyridazine-3-carboxamide
CID 134590430

Frequently Asked Questions

What is the IUPAC name of 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The IUPAC name of 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole (CID 134588395) is 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole.
What is the SMILES notation for 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The canonical SMILES for 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole is Cc1ccc(-c2noc(C)c2COc2cc(C)c(Cl)nn2)cn1.
What is the InChIKey of 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
The InChIKey is SMPAZIWYVIQBJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15ClN4O2/c1-9-6-14(19-20-16(9)17)22-8-13-11(3)23-21-15(13)12-5-4-10(2)18-7-12/h4-7H,8H2,1-3H3.
What are the key properties of 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole?
4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole has a molecular weight of 330.78 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-chloro-5-methylpyridazin-3-yl)oxymethyl]-5-methyl-3-(6-methyl-3-pyridinyl)-1,2-oxazole is sourced from PubChem (CID 134588395), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).