5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one

C18H14ClN5O2 — CID 126666030

IUPAC5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1noc2c(-c3cncnc3)nn(C(C)c3ccc(Cl)cc3)c(=O)c12
InChIInChI=1S/C18H14ClN5O2/c1-10-15-17(26-23-10)16(13-7-20-9-21-8-13)22-24(18(15)25)11(2)12-3-5-14(19)6-4-12/h3-9,11H,1-2H3
InChIKeyGIONFIBMPDSQKX-UHFFFAOYSA-N
MW367.80 g/mol
LogP3.41
Rot. Bonds3

About 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one

5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one (PubChem CID 126666030) has the molecular formula C18H14ClN5O2 and a molecular weight of 367.80 g/mol. Its IUPAC name is 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one.

Molecular Properties

Compound Name5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one
PubChem CID126666030
Molecular FormulaC18H14ClN5O2
Molecular Weight367.80 g/mol
Exact Mass367.08
IUPAC Name5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one
SMILESCc1noc2c(-c3cncnc3)nn(C(C)c3ccc(Cl)cc3)c(=O)c12
InChIInChI=1S/C18H14ClN5O2/c1-10-15-17(26-23-10)16(13-7-20-9-21-8-13)22-24(18(15)25)11(2)12-3-5-14(19)6-4-12/h3-9,11H,1-2H3
InChIKeyGIONFIBMPDSQKX-UHFFFAOYSA-N
XLogP3.41
TPSA86.70 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.80
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

5-[1-(4-chlorophenyl)ethyl]-7-(2-hydroxyphenyl)-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 137103843
7-bromo-5-[(1R)-1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666068
3-[5-[1-(4-chlorophenyl)ethyl]-3-methyl-4-oxo-[1,2]oxazolo[4,5-d]pyridazin-7-yl]benzamide
CID 126665940
5-[1-(4-chlorophenyl)ethyl]-7-(2,5-dimethoxyphenyl)-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666107
7-[2-amino-5-(trifluoromethyl)phenyl]-5-[1-(4-chlorophenyl)ethyl]-3-methyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666127
N-[4-methyl-3-[3-methyl-4-oxo-5-[(1R)-1-[4-(trifluoromethyl)phenyl]ethyl]-[1,2]oxazolo[4,5-d]pyridazin-7-yl]phenyl]acetamide
CID 126666123
1-[1-(4-chlorophenyl)ethyl]-5-(3,5-dimethyl-1,2-oxazol-4-yl)pyridin-2-one
CID 90234026
5-[(4-fluorophenyl)methyl]-3,7-dimethyl-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666024
3-[1-(4-chlorophenyl)ethyl]imidazole-4-carbaldehyde
CID 57092167
11-[1-(4-chlorophenyl)ethyl]-2,3,5,7,11-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,12-pentaen-10-one
CID 43864578
3,7-dimethyl-5-(3-methylbutyl)-[1,2]oxazolo[4,5-d]pyridazin-4-one
CID 126666217
2-[1-(4-chlorophenyl)ethyl]-5-methyl-4H-pyrazol-3-one
CID 131881025

Frequently Asked Questions

What is the IUPAC name of 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The IUPAC name of 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one (CID 126666030) is 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one.
What is the SMILES notation for 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The canonical SMILES for 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one is Cc1noc2c(-c3cncnc3)nn(C(C)c3ccc(Cl)cc3)c(=O)c12.
What is the InChIKey of 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
The InChIKey is GIONFIBMPDSQKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN5O2/c1-10-15-17(26-23-10)16(13-7-20-9-21-8-13)22-24(18(15)25)11(2)12-3-5-14(19)6-4-12/h3-9,11H,1-2H3.
What are the key properties of 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one?
5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one has a molecular weight of 367.80 g/mol, XLogP of 3.41, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(4-chlorophenyl)ethyl]-3-methyl-7-pyrimidin-5-yl-[1,2]oxazolo[4,5-d]pyridazin-4-one is sourced from PubChem (CID 126666030), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).