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

C18H19N5O3 — CID 139412533

IUPACN-[(1R)-5-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(CCO)n4)ccc32)cn1
InChIInChI=1S/C18H19N5O3/c1-23-10-13(9-19-23)18(25)20-15-5-3-11-8-12(2-4-14(11)15)17-21-16(6-7-24)26-22-17/h2,4,8-10,15,24H,3,5-7H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyQUUHMAGBXSVBBW-OAHLLOKOSA-N
MW353.38 g/mol
LogP1.42
Rot. Bonds5

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

N-[(1R)-5-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 139412533) has the molecular formula C18H19N5O3 and a molecular weight of 353.38 g/mol. Its IUPAC name is N-[(1R)-5-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
PubChem CID139412533
Molecular FormulaC18H19N5O3
Molecular Weight353.38 g/mol
Exact Mass353.15
IUPAC NameN-[(1R)-5-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCn1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(CCO)n4)ccc32)cn1
InChIInChI=1S/C18H19N5O3/c1-23-10-13(9-19-23)18(25)20-15-5-3-11-8-12(2-4-14(11)15)17-21-16(6-7-24)26-22-17/h2,4,8-10,15,24H,3,5-7H2,1H3,(H,20,25)/t15-/m1/s1
InChIKeyQUUHMAGBXSVBBW-OAHLLOKOSA-N
XLogP1.42
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.38
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[(1R)-5-[5-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (CID 139412533) is N-[(1R)-5-[5-(2-hydroxyethyl)-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-(2-hydroxyethyl)-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-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is Cn1cc(C(=O)N[C@@H]2CCc3cc(-c4noc(CCO)n4)ccc32)cn1.
What is the InChIKey of N-[(1R)-5-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is QUUHMAGBXSVBBW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H19N5O3/c1-23-10-13(9-19-23)18(25)20-15-5-3-11-8-12(2-4-14(11)15)17-21-16(6-7-24)26-22-17/h2,4,8-10,15,24H,3,5-7H2,1H3,(H,20,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
N-[(1R)-5-[5-(2-hydroxyethyl)-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 1.42, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(2-hydroxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139412533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).