3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide

C22H26N4O4 — CID 46959036

IUPAC3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)CCc3c(C)noc3C)n2)cc1
InChIInChI=1S/C22H26N4O4/c1-14(23-21(27)11-9-19-15(2)25-30-16(19)3)13-26-22(28)12-10-20(24-26)17-5-7-18(29-4)8-6-17/h5-8,10,12,14H,9,11,13H2,1-4H3,(H,23,27)/t14-/m0/s1
InChIKeyJOYCRMXUOPNAER-AWEZNQCLSA-N
MW410.47 g/mol
LogP2.66
Rot. Bonds8

About 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide (PubChem CID 46959036) has the molecular formula C22H26N4O4 and a molecular weight of 410.47 g/mol. Its IUPAC name is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide.

Molecular Properties

Compound Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide
PubChem CID46959036
Molecular FormulaC22H26N4O4
Molecular Weight410.47 g/mol
Exact Mass410.20
IUPAC Name3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide
SMILESCOc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)CCc3c(C)noc3C)n2)cc1
InChIInChI=1S/C22H26N4O4/c1-14(23-21(27)11-9-19-15(2)25-30-16(19)3)13-26-22(28)12-10-20(24-26)17-5-7-18(29-4)8-6-17/h5-8,10,12,14H,9,11,13H2,1-4H3,(H,23,27)/t14-/m0/s1
InChIKeyJOYCRMXUOPNAER-AWEZNQCLSA-N
XLogP2.66
TPSA99.25 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(4-methoxyphenyl)-phenylmethyl]propanamide
CID 18166430
methyl 3-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]-3-(4-methoxyphenyl)propanoate
CID 51110901
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-(2-oxo-5-thiophen-2-yl-1,3,4-oxadiazol-3-yl)propan-2-yl]propanamide
CID 16671800
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 18132053
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(furan-2-yl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 121084092
3-(4-methoxyphenyl)-N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]propanamide
CID 41240937
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(6-oxo-3-phenylpyridazin-1-yl)acetamide
CID 47865933
cyclooctane;2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]-N-methylacetamide
CID 75366540
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]propanamide
CID 31703237
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-(4-methoxyphenyl)propanamide
CID 47862506
4-[[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]acetyl]amino]butanoic acid
CID 51053004

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide?
The IUPAC name of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide (CID 46959036) is 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide.
What is the SMILES notation for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide?
The canonical SMILES for 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide is COc1ccc(-c2ccc(=O)n(C[C@H](C)NC(=O)CCc3c(C)noc3C)n2)cc1.
What is the InChIKey of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide?
The InChIKey is JOYCRMXUOPNAER-AWEZNQCLSA-N. The full InChI is InChI=1S/C22H26N4O4/c1-14(23-21(27)11-9-19-15(2)25-30-16(19)3)13-26-22(28)12-10-20(24-26)17-5-7-18(29-4)8-6-17/h5-8,10,12,14H,9,11,13H2,1-4H3,(H,23,27)/t14-/m0/s1.
What are the key properties of 3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide?
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide has a molecular weight of 410.47 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 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-[(2S)-1-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]propan-2-yl]propanamide is sourced from PubChem (CID 46959036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).