N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

C16H20N4O3 — CID 122278010

IUPACN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H20N4O3/c1-10-13(11(2)23-19-10)9-15(21)17-7-8-20-16(22)6-5-14(18-20)12-3-4-12/h5-6,12H,3-4,7-9H2,1-2H3,(H,17,21)
InChIKeyUBRBIMQXAURHOU-UHFFFAOYSA-N
MW316.36 g/mol
LogP1.08
Rot. Bonds6

About N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (PubChem CID 122278010) has the molecular formula C16H20N4O3 and a molecular weight of 316.36 g/mol. Its IUPAC name is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
PubChem CID122278010
Molecular FormulaC16H20N4O3
Molecular Weight316.36 g/mol
Exact Mass316.15
IUPAC NameN-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide
SMILESCc1noc(C)c1CC(=O)NCCn1nc(C2CC2)ccc1=O
InChIInChI=1S/C16H20N4O3/c1-10-13(11(2)23-19-10)9-15(21)17-7-8-20-16(22)6-5-14(18-20)12-3-4-12/h5-6,12H,3-4,7-9H2,1-2H3,(H,17,21)
InChIKeyUBRBIMQXAURHOU-UHFFFAOYSA-N
XLogP1.08
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide with MolForge

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Related Compounds

N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]butanamide
CID 122277843
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 122278208
6-cyclopropyl-2-[[1-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]pyrrolidin-2-yl]methyl]pyridazin-3-one
CID 126923415
N-[(2S)-1-(3-cyclopropyl-6-oxopyridazin-1-yl)-3-methylbutan-2-yl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 95791820
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 122278048
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121084092
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-methyl-1,3-thiazole-4-carboxamide
CID 122277924
methyl 4-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethylcarbamoyl]benzoate
CID 122277941
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-3-phenylpropanamide
CID 122277842
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-4-fluorobenzamide
CID 122277818
2-(3-cyclopropyl-6-oxopyridazin-1-yl)-N-propylacetamide
CID 122278444
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-pyrimidin-2-ylsulfanylacetamide
CID 122278018

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The IUPAC name of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide (CID 122278010) is N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The canonical SMILES for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is Cc1noc(C)c1CC(=O)NCCn1nc(C2CC2)ccc1=O.
What is the InChIKey of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
The InChIKey is UBRBIMQXAURHOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3/c1-10-13(11(2)23-19-10)9-15(21)17-7-8-20-16(22)6-5-14(18-20)12-3-4-12/h5-6,12H,3-4,7-9H2,1-2H3,(H,17,21).
What are the key properties of N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide?
N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide has a molecular weight of 316.36 g/mol, XLogP of 1.08, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-cyclopropyl-6-oxopyridazin-1-yl)ethyl]-2-(3,5-dimethyl-1,2-oxazol-4-yl)acetamide is sourced from PubChem (CID 122278010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).