1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide

C20H37N5O4 — CID 153424196

IUPAC1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide
SMILESCOCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CNN(CCO)C3C)C2)NO1
InChIInChI=1S/C20H37N5O4/c1-12-16(10-21-25(12)7-8-26)20(27)22-17-6-4-13-9-14(3-5-15(13)17)19-23-18(11-28-2)29-24-19/h12-19,21,23-24,26H,3-11H2,1-2H3,(H,22,27)/t12?,13?,14?,15?,16?,17-,18?,19?/m1/s1
InChIKeyUBSVFCVOCQKDHQ-OBWQPBIBSA-N
MW411.55 g/mol
LogP-0.46
Rot. Bonds7

About 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide

1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide (PubChem CID 153424196) has the molecular formula C20H37N5O4 and a molecular weight of 411.55 g/mol. Its IUPAC name is 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide.

Molecular Properties

Compound Name1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide
PubChem CID153424196
Molecular FormulaC20H37N5O4
Molecular Weight411.55 g/mol
Exact Mass411.28
IUPAC Name1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide
SMILESCOCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CNN(CCO)C3C)C2)NO1
InChIInChI=1S/C20H37N5O4/c1-12-16(10-21-25(12)7-8-26)20(27)22-17-6-4-13-9-14(3-5-15(13)17)19-23-18(11-28-2)29-24-19/h12-19,21,23-24,26H,3-11H2,1-2H3,(H,22,27)/t12?,13?,14?,15?,16?,17-,18?,19?/m1/s1
InChIKeyUBSVFCVOCQKDHQ-OBWQPBIBSA-N
XLogP-0.46
TPSA107.12 Ų
H-Bond Donors5
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.55
LogP ≤ 5-0.46
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 108

Analyze 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide?
The IUPAC name of 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide (CID 153424196) is 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide.
What is the SMILES notation for 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide?
The canonical SMILES for 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide is COCC1NC(C2CCC3C(CC[C@H]3NC(=O)C3CNN(CCO)C3C)C2)NO1.
What is the InChIKey of 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide?
The InChIKey is UBSVFCVOCQKDHQ-OBWQPBIBSA-N. The full InChI is InChI=1S/C20H37N5O4/c1-12-16(10-21-25(12)7-8-26)20(27)22-17-6-4-13-9-14(3-5-15(13)17)19-23-18(11-28-2)29-24-19/h12-19,21,23-24,26H,3-11H2,1-2H3,(H,22,27)/t12?,13?,14?,15?,16?,17-,18?,19?/m1/s1.
What are the key properties of 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide?
1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide has a molecular weight of 411.55 g/mol, XLogP of -0.46, 7 rotatable bonds, 5 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydroxyethyl)-N-[(1R)-5-[5-(methoxymethyl)-1,2,4-oxadiazolidin-3-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-1-yl]-5-methylpyrazolidine-4-carboxamide is sourced from PubChem (CID 153424196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).