N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide

C18H23N5O2 — CID 126918792

IUPACN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C18H23N5O2/c1-11-15(12(2)25-21-11)8-18(24)22(3)14-9-23(10-14)17-7-13-5-4-6-16(13)19-20-17/h7,14H,4-6,8-10H2,1-3H3
InChIKeyWBVRSDWNWNKZGU-UHFFFAOYSA-N
MW341.42 g/mol
LogP1.46
Rot. Bonds4

About N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide

N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide (PubChem CID 126918792) has the molecular formula C18H23N5O2 and a molecular weight of 341.42 g/mol. Its IUPAC name is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
PubChem CID126918792
Molecular FormulaC18H23N5O2
Molecular Weight341.42 g/mol
Exact Mass341.19
IUPAC NameN-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
SMILESCc1noc(C)c1CC(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1
InChIInChI=1S/C18H23N5O2/c1-11-15(12(2)25-21-11)8-18(24)22(3)14-9-23(10-14)17-7-13-5-4-6-16(13)19-20-17/h7,14H,4-6,8-10H2,1-3H3
InChIKeyWBVRSDWNWNKZGU-UHFFFAOYSA-N
XLogP1.46
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.42
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)piperazin-1-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)ethanone
CID 122281312
N,5-dimethyl-N-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]-1,2-oxazole-4-carboxamide
CID 126919519
N-[1-(3-tert-butyl-[1,2,4]triazolo[4,3-b]pyridazin-6-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide
CID 126922665
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N,2-dimethylpyrazole-3-carboxamide
CID 126918862
1-[[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-methylamino]methyl]cyclopentan-1-ol
CID 126919169
N-methyl-N-(1,2-oxazol-3-ylmethyl)-1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-amine
CID 126919780
5-tert-butyl-N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-methyl-1H-pyrazole-3-carboxamide
CID 126918860
1-[[methyl-[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]amino]methyl]cyclobutan-1-ol
CID 126919871
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxycyclohexyl)-N-methylacetamide
CID 102634876
1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)-N-methyl-N-(pyridin-3-ylmethyl)azetidin-3-amine
CID 126918908
N-(2-amino-2-oxoethyl)-N-cyclopentyl-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
CID 75414997
2-[7-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]-methylamino]-6,7,8,9-tetrahydropyrido[1,2-a]indol-10-yl]acetic acid
CID 76769579

Frequently Asked Questions

What is the IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The IUPAC name of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide (CID 126918792) is N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide.
What is the SMILES notation for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The canonical SMILES for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide is Cc1noc(C)c1CC(=O)N(C)C1CN(c2cc3c(nn2)CCC3)C1.
What is the InChIKey of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
The InChIKey is WBVRSDWNWNKZGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N5O2/c1-11-15(12(2)25-21-11)8-18(24)22(3)14-9-23(10-14)17-7-13-5-4-6-16(13)19-20-17/h7,14H,4-6,8-10H2,1-3H3.
What are the key properties of N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide?
N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide has a molecular weight of 341.42 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-methylacetamide is sourced from PubChem (CID 126918792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).