methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate

C19H19N5O4 — CID 139412764

IUPACmethyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(c2)CCC3NC(=O)c2cn(C)nc2C)no1
InChIInChI=1S/C19H19N5O4/c1-10-14(9-24(2)22-10)17(25)20-15-7-5-11-8-12(4-6-13(11)15)16-21-18(28-23-16)19(26)27-3/h4,6,8-9,15H,5,7H2,1-3H3,(H,20,25)
InChIKeyZJFRZNNNRWINSM-UHFFFAOYSA-N
MW381.39 g/mol
LogP1.98
Rot. Bonds4

About methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate

methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate (PubChem CID 139412764) has the molecular formula C19H19N5O4 and a molecular weight of 381.39 g/mol. Its IUPAC name is methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate
PubChem CID139412764
Molecular FormulaC19H19N5O4
Molecular Weight381.39 g/mol
Exact Mass381.14
IUPAC Namemethyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate
SMILESCOC(=O)c1nc(-c2ccc3c(c2)CCC3NC(=O)c2cn(C)nc2C)no1
InChIInChI=1S/C19H19N5O4/c1-10-14(9-24(2)22-10)17(25)20-15-7-5-11-8-12(4-6-13(11)15)16-21-18(28-23-16)19(26)27-3/h4,6,8-9,15H,5,7H2,1-3H3,(H,20,25)
InChIKeyZJFRZNNNRWINSM-UHFFFAOYSA-N
XLogP1.98
TPSA112.14 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.39
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate?
The IUPAC name of methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate (CID 139412764) is methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate.
What is the SMILES notation for methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate?
The canonical SMILES for methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate is COC(=O)c1nc(-c2ccc3c(c2)CCC3NC(=O)c2cn(C)nc2C)no1.
What is the InChIKey of methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate?
The InChIKey is ZJFRZNNNRWINSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O4/c1-10-14(9-24(2)22-10)17(25)20-15-7-5-11-8-12(4-6-13(11)15)16-21-18(28-23-16)19(26)27-3/h4,6,8-9,15H,5,7H2,1-3H3,(H,20,25).
What are the key properties of methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate?
methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate has a molecular weight of 381.39 g/mol, XLogP of 1.98, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[1-[(1,3-dimethylpyrazole-4-carbonyl)amino]-2,3-dihydro-1H-inden-5-yl]-1,2,4-oxadiazole-5-carboxylate is sourced from PubChem (CID 139412764), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).