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

C19H21N5O3 — CID 139412681

IUPACN-[(1R)-5-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCOCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C19H21N5O3/c1-24-11-14(10-20-24)19(25)21-16-6-4-12-9-13(3-5-15(12)16)18-22-17(27-23-18)7-8-26-2/h3,5,9-11,16H,4,6-8H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyFHSNKVFZQCEYCE-MRXNPFEDSA-N
MW367.41 g/mol
LogP2.08
Rot. Bonds6

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

N-[(1R)-5-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (PubChem CID 139412681) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is N-[(1R)-5-[5-(2-methoxyethyl)-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-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
PubChem CID139412681
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC NameN-[(1R)-5-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide
SMILESCOCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1
InChIInChI=1S/C19H21N5O3/c1-24-11-14(10-20-24)19(25)21-16-6-4-12-9-13(3-5-15(12)16)18-22-17(27-23-18)7-8-26-2/h3,5,9-11,16H,4,6-8H2,1-2H3,(H,21,25)/t16-/m1/s1
InChIKeyFHSNKVFZQCEYCE-MRXNPFEDSA-N
XLogP2.08
TPSA95.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 52.08
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-(2-methoxyethyl)-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-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide (CID 139412681) is N-[(1R)-5-[5-(2-methoxyethyl)-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-methoxyethyl)-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-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is COCCc1nc(-c2ccc3c(c2)CC[C@H]3NC(=O)c2cnn(C)c2)no1.
What is the InChIKey of N-[(1R)-5-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
The InChIKey is FHSNKVFZQCEYCE-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-24-11-14(10-20-24)19(25)21-16-6-4-12-9-13(3-5-15(12)16)18-22-17(27-23-18)7-8-26-2/h3,5,9-11,16H,4,6-8H2,1-2H3,(H,21,25)/t16-/m1/s1.
What are the key properties of N-[(1R)-5-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide?
N-[(1R)-5-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 2.08, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-5-[5-(2-methoxyethyl)-1,2,4-oxadiazol-3-yl]-2,3-dihydro-1H-inden-1-yl]-1-methylpyrazole-4-carboxamide is sourced from PubChem (CID 139412681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).