N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide

C19H21N5O3 — CID 139412399

IUPACN-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCOCc1nc(-c2ccc3c(c2)CCC3NC(=O)c2cn(C)nc2C)no1
InChIInChI=1S/C19H21N5O3/c1-11-15(9-24(2)22-11)19(25)20-16-7-5-12-8-13(4-6-14(12)16)18-21-17(10-26-3)27-23-18/h4,6,8-9,16H,5,7,10H2,1-3H3,(H,20,25)
InChIKeyLDKAAEDRGSUESI-UHFFFAOYSA-N
MW367.41 g/mol
LogP2.34
Rot. Bonds5

About N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide

N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide (PubChem CID 139412399) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide
PubChem CID139412399
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide
SMILESCOCc1nc(-c2ccc3c(c2)CCC3NC(=O)c2cn(C)nc2C)no1
InChIInChI=1S/C19H21N5O3/c1-11-15(9-24(2)22-11)19(25)20-16-7-5-12-8-13(4-6-14(12)16)18-21-17(10-26-3)27-23-18/h4,6,8-9,16H,5,7,10H2,1-3H3,(H,20,25)
InChIKeyLDKAAEDRGSUESI-UHFFFAOYSA-N
XLogP2.34
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide?
The IUPAC name of N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide (CID 139412399) is N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide.
What is the SMILES notation for N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide?
The canonical SMILES for N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide is COCc1nc(-c2ccc3c(c2)CCC3NC(=O)c2cn(C)nc2C)no1.
What is the InChIKey of N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide?
The InChIKey is LDKAAEDRGSUESI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-11-15(9-24(2)22-11)19(25)20-16-7-5-12-8-13(4-6-14(12)16)18-21-17(10-26-3)27-23-18/h4,6,8-9,16H,5,7,10H2,1-3H3,(H,20,25).
What are the key properties of N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide?
N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1,3-dimethylpyrazole-4-carboxamide is sourced from PubChem (CID 139412399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).