methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate

C19H20N6O5 — CID 168974513

IUPACmethyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nn1C
InChIInChI=1S/C19H20N6O5/c1-11-21-17(24-30-11)12-5-4-6-13(9-12)18(27)20-8-7-16(26)22-15-10-14(19(28)29-3)25(2)23-15/h4-6,9-10H,7-8H2,1-3H3,(H,20,27)(H,22,23,26)
InChIKeyLFWREGMLRMEOPY-UHFFFAOYSA-N
MW412.41 g/mol
LogP1.32
Rot. Bonds7

About methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate

methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate (PubChem CID 168974513) has the molecular formula C19H20N6O5 and a molecular weight of 412.41 g/mol. Its IUPAC name is methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate
PubChem CID168974513
Molecular FormulaC19H20N6O5
Molecular Weight412.41 g/mol
Exact Mass412.15
IUPAC Namemethyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate
SMILESCOC(=O)c1cc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nn1C
InChIInChI=1S/C19H20N6O5/c1-11-21-17(24-30-11)12-5-4-6-13(9-12)18(27)20-8-7-16(26)22-15-10-14(19(28)29-3)25(2)23-15/h4-6,9-10H,7-8H2,1-3H3,(H,20,27)(H,22,23,26)
InChIKeyLFWREGMLRMEOPY-UHFFFAOYSA-N
XLogP1.32
TPSA141.24 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.41
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

azane;N-[3-[[5-[(E)-3-methoxyprop-1-enyl]-4-methyl-1,3-thiazol-2-yl]amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 175917675
3-(5-methyl-1,2,4-oxadiazol-3-yl)-N-[3-[[4-methyl-5-(1-phenylethenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]benzamide
CID 168974642
ethyl 2-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]-4-(trifluoromethyl)-1,3-thiazole-5-carboxylate
CID 168974399
N-methylpropan-1-amine;propyl 4-methyl-2-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]-1,3-thiazole-5-carboxylate
CID 168974367
N-[3-[(4-cyclobutyloxy-[1,3]thiazolo[5,4-c]pyridin-2-yl)amino]-3-oxopropyl]-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 171560049
2-(2-methoxyethylamino)-N-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]acetamide
CID 119741042
ethyl 3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoate
CID 53429626
N-(3-ethylphenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321576
N-(3-chlorophenyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321558
N-(5-chloro-2-pyridinyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46321553
N-(2-cyclopentyl-2-hydroxyethyl)-3-(5-methyl-1,2,4-oxadiazol-3-yl)benzamide
CID 111477761
2,6-dimethoxy-N-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]benzamide
CID 110370352

Frequently Asked Questions

What is the IUPAC name of methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate?
The IUPAC name of methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate (CID 168974513) is methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate.
What is the SMILES notation for methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate?
The canonical SMILES for methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate is COC(=O)c1cc(NC(=O)CCNC(=O)c2cccc(-c3noc(C)n3)c2)nn1C.
What is the InChIKey of methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate?
The InChIKey is LFWREGMLRMEOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O5/c1-11-21-17(24-30-11)12-5-4-6-13(9-12)18(27)20-8-7-16(26)22-15-10-14(19(28)29-3)25(2)23-15/h4-6,9-10H,7-8H2,1-3H3,(H,20,27)(H,22,23,26).
What are the key properties of methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate?
methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate has a molecular weight of 412.41 g/mol, XLogP of 1.32, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-methyl-3-[3-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)benzoyl]amino]propanoylamino]pyrazole-5-carboxylate is sourced from PubChem (CID 168974513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).