N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide

C16H19N5O2 — CID 126918547

IUPACN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CN(c3cc4c(nn3)CCC4)C2)co1
InChIInChI=1S/C16H19N5O2/c1-10-18-14(9-23-10)16(22)17-6-11-7-21(8-11)15-5-12-3-2-4-13(12)19-20-15/h5,9,11H,2-4,6-8H2,1H3,(H,17,22)
InChIKeyUABNAVGISNBFTL-UHFFFAOYSA-N
MW313.36 g/mol
LogP1.13
Rot. Bonds4

About N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide

N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide (PubChem CID 126918547) has the molecular formula C16H19N5O2 and a molecular weight of 313.36 g/mol. Its IUPAC name is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
PubChem CID126918547
Molecular FormulaC16H19N5O2
Molecular Weight313.36 g/mol
Exact Mass313.15
IUPAC NameN-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide
SMILESCc1nc(C(=O)NCC2CN(c3cc4c(nn3)CCC4)C2)co1
InChIInChI=1S/C16H19N5O2/c1-10-18-14(9-23-10)16(22)17-6-11-7-21(8-11)15-5-12-3-2-4-13(12)19-20-15/h5,9,11H,2-4,6-8H2,1H3,(H,17,22)
InChIKeyUABNAVGISNBFTL-UHFFFAOYSA-N
XLogP1.13
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.36
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-oxazole-4-carboxamide
CID 126919295
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]quinoxaline-2-carboxamide
CID 126919228
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-6-oxo-1H-pyridine-3-carboxamide
CID 126918495
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-1H-indole-5-carboxamide
CID 126918502
3-methyl-2,4-dioxo-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-pyrimidine-5-carboxamide
CID 126919277
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 126918470
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1H-imidazole-5-carboxamide
CID 126919263
N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]-1,3-benzothiazole-2-carboxamide
CID 126919225
1-cyclopropyl-N-[[1-(5,6,7,8-tetrahydrocinnolin-3-yl)azetidin-3-yl]methyl]methanamine
CID 126919333
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-(1H-indol-3-yl)acetamide
CID 126918501
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-5-methylpyrimidin-2-amine
CID 126918682
1-[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]-N-(1,3-oxazol-5-ylmethyl)methanamine
CID 126918654

Frequently Asked Questions

What is the IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
The IUPAC name of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide (CID 126918547) is N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide is Cc1nc(C(=O)NCC2CN(c3cc4c(nn3)CCC4)C2)co1.
What is the InChIKey of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
The InChIKey is UABNAVGISNBFTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N5O2/c1-10-18-14(9-23-10)16(22)17-6-11-7-21(8-11)15-5-12-3-2-4-13(12)19-20-15/h5,9,11H,2-4,6-8H2,1H3,(H,17,22).
What are the key properties of N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide?
N-[[1-(6,7-dihydro-5H-cyclopenta[c]pyridazin-3-yl)azetidin-3-yl]methyl]-2-methyl-1,3-oxazole-4-carboxamide has a molecular weight of 313.36 g/mol, XLogP of 1.13, 4 rotatable bonds, 1 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]methyl]-2-methyl-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 126918547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).