3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide

C18H26N6O2 — CID 122321151

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCCNc1cc(N2CCCC2)cnn1
InChIInChI=1S/C18H26N6O2/c1-13-16(14(2)26-23-13)5-6-18(25)20-8-7-19-17-11-15(12-21-22-17)24-9-3-4-10-24/h11-12H,3-10H2,1-2H3,(H,19,22)(H,20,25)
InChIKeyOMWJMMDAZLXEFT-UHFFFAOYSA-N
MW358.45 g/mol
LogP1.84
Rot. Bonds8

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide (PubChem CID 122321151) has the molecular formula C18H26N6O2 and a molecular weight of 358.45 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide
PubChem CID122321151
Molecular FormulaC18H26N6O2
Molecular Weight358.45 g/mol
Exact Mass358.21
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide
SMILESCc1noc(C)c1CCC(=O)NCCNc1cc(N2CCCC2)cnn1
InChIInChI=1S/C18H26N6O2/c1-13-16(14(2)26-23-13)5-6-18(25)20-8-7-19-17-11-15(12-21-22-17)24-9-3-4-10-24/h11-12H,3-10H2,1-2H3,(H,19,22)(H,20,25)
InChIKeyOMWJMMDAZLXEFT-UHFFFAOYSA-N
XLogP1.84
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-methyl-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]-1,2-oxazole-3-carboxamide
CID 122321196
2-(4-methoxyphenoxy)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321167
2-(1,3-dioxoisoindol-2-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321189
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]propanamide
CID 122292723
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-4-phenylbutanamide
CID 122321432
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[[2-methyl-6-[(4-methyl-2-pyridinyl)amino]pyrimidin-4-yl]amino]ethyl]propanamide
CID 122315502
2-(2-methylphenoxy)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321557
N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]naphthalene-2-carboxamide
CID 122321030
N-(2-aminopropyl)-3-(3,5-dimethyl-1,2-oxazol-4-yl)propanamide
CID 110833015
2-(4-cyclopropyl-6-oxopyrimidin-1-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321294
2-(2-chloro-6-fluorophenyl)-N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]acetamide
CID 122321685
N-[2-[(5-morpholin-4-ylpyridazin-3-yl)amino]ethyl]-2-pyrazol-1-ylacetamide
CID 122321653

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide (CID 122321151) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide is Cc1noc(C)c1CCC(=O)NCCNc1cc(N2CCCC2)cnn1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
The InChIKey is OMWJMMDAZLXEFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N6O2/c1-13-16(14(2)26-23-13)5-6-18(25)20-8-7-19-17-11-15(12-21-22-17)24-9-3-4-10-24/h11-12H,3-10H2,1-2H3,(H,19,22)(H,20,25).
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide has a molecular weight of 358.45 g/mol, XLogP of 1.84, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[(5-pyrrolidin-1-ylpyridazin-3-yl)amino]ethyl]propanamide is sourced from PubChem (CID 122321151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).