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

C18H19N5O3 — CID 139412371

IUPACN-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCOCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C18H19N5O3/c1-23-9-13(8-19-23)18(24)20-15-6-4-11-7-12(3-5-14(11)15)17-21-16(10-25-2)26-22-17/h3,5,7-9,15H,4,6,10H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyGOTMABSZBBNEPZ-OAHLLOKOSA-N
MW353.38 g/mol
LogP2.03
Rot. Bonds5

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

N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 139412371) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
PubChem CID139412371
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCOCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C18H19N5O3/c1-23-9-13(8-19-23)18(24)20-15-6-4-11-7-12(3-5-14(11)15)17-21-16(10-25-2)26-22-17/h3,5,7-9,15H,4,6,10H2,1-2H3,(H,20,24)/t15-/m1/s1
InChIKeyGOTMABSZBBNEPZ-OAHLLOKOSA-N
XLogP2.03
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The IUPAC name of N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (CID 139412371) is N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide.
What is the SMILES notation for N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The canonical SMILES for N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is COCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1.
What is the InChIKey of N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is GOTMABSZBBNEPZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-23-9-13(8-19-23)18(24)20-15-6-4-11-7-12(3-5-14(11)15)17-21-16(10-25-2)26-22-17/h3,5,7-9,15H,4,6,10H2,1-2H3,(H,20,24)/t15-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 353.38 g/mol, XLogP of 2.03, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139412371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).