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

C20H23N5O3 — CID 139412890

IUPACN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccn(CCOC)n2)no1
InChIInChI=1S/C20H23N5O3/c1-3-18-22-19(24-28-18)14-4-6-15-13(12-14)5-7-16(15)21-20(26)17-8-9-25(23-17)10-11-27-2/h4,6,8-9,12,16H,3,5,7,10-11H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyKXMRSJDILZEAHR-MRXNPFEDSA-N
MW381.44 g/mol
LogP2.56
Rot. Bonds7

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

N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide (PubChem CID 139412890) has the molecular formula C20H23N5O3 and a molecular weight of 381.44 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-methoxyethyl)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-methoxyethyl)pyrazole-3-carboxamide
PubChem CID139412890
Molecular FormulaC20H23N5O3
Molecular Weight381.44 g/mol
Exact Mass381.18
IUPAC NameN-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide
SMILESCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccn(CCOC)n2)no1
InChIInChI=1S/C20H23N5O3/c1-3-18-22-19(24-28-18)14-4-6-15-13(12-14)5-7-16(15)21-20(26)17-8-9-25(23-17)10-11-27-2/h4,6,8-9,12,16H,3,5,7,10-11H2,1-2H3,(H,21,26)/t16-/m1/s1
InChIKeyKXMRSJDILZEAHR-MRXNPFEDSA-N
XLogP2.56
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 52.56
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-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)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-methoxyethyl)pyrazole-3-carboxamide (CID 139412890) is N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)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-methoxyethyl)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-methoxyethyl)pyrazole-3-carboxamide is CCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2ccn(CCOC)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-methoxyethyl)pyrazole-3-carboxamide?
The InChIKey is KXMRSJDILZEAHR-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H23N5O3/c1-3-18-22-19(24-28-18)14-4-6-15-13(12-14)5-7-16(15)21-20(26)17-8-9-25(23-17)10-11-27-2/h4,6,8-9,12,16H,3,5,7,10-11H2,1-2H3,(H,21,26)/t16-/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-methoxyethyl)pyrazole-3-carboxamide?
N-[(1R)-5-(5-ethyl-1,2,4-oxadiazol-3-yl)-2,3-dihydro-1H-inden-1-yl]-1-(2-methoxyethyl)pyrazole-3-carboxamide has a molecular weight of 381.44 g/mol, XLogP of 2.56, 7 rotatable bonds, 1 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-methoxyethyl)pyrazole-3-carboxamide is sourced from PubChem (CID 139412890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).