(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

C18H21N3O2 — CID 129471937

IUPAC(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cn1
InChIInChI=1S/C18H21N3O2/c1-21-11-13(10-19-21)17-15(8-9-23-17)18(22)20-16-7-6-12-4-2-3-5-14(12)16/h2-5,10-11,15-17H,6-9H2,1H3,(H,20,22)/t15-,16+,17+/m0/s1
InChIKeyFVNCIMNUJNTJFB-GVDBMIGSSA-N
MW311.38 g/mol
LogP2.30
Rot. Bonds3

About (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 129471937) has the molecular formula C18H21N3O2 and a molecular weight of 311.38 g/mol. Its IUPAC name is (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID129471937
Molecular FormulaC18H21N3O2
Molecular Weight311.38 g/mol
Exact Mass311.16
IUPAC Name(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cn1
InChIInChI=1S/C18H21N3O2/c1-21-11-13(10-19-21)17-15(8-9-23-17)18(22)20-16-7-6-12-4-2-3-5-14(12)16/h2-5,10-11,15-17H,6-9H2,1H3,(H,20,22)/t15-,16+,17+/m0/s1
InChIKeyFVNCIMNUJNTJFB-GVDBMIGSSA-N
XLogP2.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.38
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide (CID 129471937) is (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is Cn1cc([C@H]2OCC[C@@H]2C(=O)N[C@@H]2CCc3ccccc32)cn1.
What is the InChIKey of (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is FVNCIMNUJNTJFB-GVDBMIGSSA-N. The full InChI is InChI=1S/C18H21N3O2/c1-21-11-13(10-19-21)17-15(8-9-23-17)18(22)20-16-7-6-12-4-2-3-5-14(12)16/h2-5,10-11,15-17H,6-9H2,1H3,(H,20,22)/t15-,16+,17+/m0/s1.
What are the key properties of (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 311.38 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(1R)-2,3-dihydro-1H-inden-1-yl]-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129471937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).