(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

C17H23N3O4 — CID 129325500

IUPAC(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)NC[C@@H](O)c1ccco1
InChIInChI=1S/C17H23N3O4/c1-10-15(11(2)20(3)19-10)16-12(6-8-24-16)17(22)18-9-13(21)14-5-4-7-23-14/h4-5,7,12-13,16,21H,6,8-9H2,1-3H3,(H,18,22)/t12-,13+,16-/m0/s1
InChIKeyAOVDJOAREAVNDK-ZENOOKHLSA-N
MW333.39 g/mol
LogP1.56
Rot. Bonds5

About (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide

(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (PubChem CID 129325500) has the molecular formula C17H23N3O4 and a molecular weight of 333.39 g/mol. Its IUPAC name is (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
PubChem CID129325500
Molecular FormulaC17H23N3O4
Molecular Weight333.39 g/mol
Exact Mass333.17
IUPAC Name(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
SMILESCc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)NC[C@@H](O)c1ccco1
InChIInChI=1S/C17H23N3O4/c1-10-15(11(2)20(3)19-10)16-12(6-8-24-16)17(22)18-9-13(21)14-5-4-7-23-14/h4-5,7,12-13,16,21H,6,8-9H2,1-3H3,(H,18,22)/t12-,13+,16-/m0/s1
InChIKeyAOVDJOAREAVNDK-ZENOOKHLSA-N
XLogP1.56
TPSA89.52 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.39
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-3-(1,3,5-trimethylpyrazol-4-yl)urea
CID 97270237
1-[(1R)-1-(furan-2-yl)ethyl]-3-[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]urea
CID 129331100
(2S,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 86812166
(2S,3S)-N-(2,6-dimethyl-3-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128972023
(2S,3S)-N-(3-methyl-4-pyridinyl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128995869
(2S,3S)-N-[(2R)-1-pyrazol-1-ylpropan-2-yl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129326780
(2S,3S)-N-[(1R)-1-pyridin-3-ylethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 129327246
(2S,3S)-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973107
1-phenyl-2-[[(2R,3S)-2-(1,3,5-trimethylpyrazol-4-yl)oxolan-3-yl]amino]ethanol
CID 167896430
(2S,3S)-N-(2-cyclopropyl-2-hydroxyethyl)-N-methyl-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128973168
N-[2-(furan-2-yl)-2-hydroxyethyl]oxolane-2-carboxamide
CID 110889373
(2S,3S)-N-[2-(2-chloro-6-fluorophenyl)-2-hydroxyethyl]-2-(1,5-dimethylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966683

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide (CID 129325500) is (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is Cc1nn(C)c(C)c1[C@H]1OCC[C@@H]1C(=O)NC[C@@H](O)c1ccco1.
What is the InChIKey of (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
The InChIKey is AOVDJOAREAVNDK-ZENOOKHLSA-N. The full InChI is InChI=1S/C17H23N3O4/c1-10-15(11(2)20(3)19-10)16-12(6-8-24-16)17(22)18-9-13(21)14-5-4-7-23-14/h4-5,7,12-13,16,21H,6,8-9H2,1-3H3,(H,18,22)/t12-,13+,16-/m0/s1.
What are the key properties of (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide?
(2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide has a molecular weight of 333.39 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[(2R)-2-(furan-2-yl)-2-hydroxyethyl]-2-(1,3,5-trimethylpyrazol-4-yl)oxolane-3-carboxamide is sourced from PubChem (CID 129325500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).