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

C19H21N5O3 — CID 139412331

IUPACN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccn(CCO)n2)no1
InChIInChI=1S/C19H21N5O3/c1-2-17-21-18(23-27-17)13-3-5-14-12(11-13)4-6-15(14)20-19(26)16-7-8-24(22-16)9-10-25/h3,5,7-8,11,15,25H,2,4,6,9-10H2,1H3,(H,20,26)/t15-/m1/s1
InChIKeyFJZPSNCAZUOVJQ-OAHLLOKOSA-N
MW367.41 g/mol
LogP1.91
Rot. Bonds6

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

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide (PubChem CID 139412331) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide.

Molecular Properties

Compound NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide
PubChem CID139412331
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccn(CCO)n2)no1
InChIInChI=1S/C19H21N5O3/c1-2-17-21-18(23-27-17)13-3-5-14-12(11-13)4-6-15(14)20-19(26)16-7-8-24(22-16)9-10-25/h3,5,7-8,11,15,25H,2,4,6,9-10H2,1H3,(H,20,26)/t15-/m1/s1
InChIKeyFJZPSNCAZUOVJQ-OAHLLOKOSA-N
XLogP1.91
TPSA106.07 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 51.91
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-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide?
The IUPAC name of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide (CID 139412331) is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide.
What is the SMILES notation for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide?
The canonical SMILES for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide is CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccn(CCO)n2)no1.
What is the InChIKey of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide?
The InChIKey is FJZPSNCAZUOVJQ-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-2-17-21-18(23-27-17)13-3-5-14-12(11-13)4-6-15(14)20-19(26)16-7-8-24(22-16)9-10-25/h3,5,7-8,11,15,25H,2,4,6,9-10H2,1H3,(H,20,26)/t15-/m1/s1.
What are the key properties of N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide?
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-hydroxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 139412331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).