(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide

C20H27N3O3 — CID 128970695

IUPAC(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCc2ccccc2)cn1
InChIInChI=1S/C20H27N3O3/c1-22(10-8-16-6-4-3-5-7-16)20(24)18-9-12-26-19(18)17-14-21-23(15-17)11-13-25-2/h3-7,14-15,18-19H,8-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyDXBSUQBWBUPQHG-RBUKOAKNSA-N
MW357.45 g/mol
LogP2.31
Rot. Bonds8

About (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide

(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide (PubChem CID 128970695) has the molecular formula C20H27N3O3 and a molecular weight of 357.45 g/mol. Its IUPAC name is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
PubChem CID128970695
Molecular FormulaC20H27N3O3
Molecular Weight357.45 g/mol
Exact Mass357.21
IUPAC Name(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide
SMILESCOCCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCc2ccccc2)cn1
InChIInChI=1S/C20H27N3O3/c1-22(10-8-16-6-4-3-5-7-16)20(24)18-9-12-26-19(18)17-14-21-23(15-17)11-13-25-2/h3-7,14-15,18-19H,8-13H2,1-2H3/t18-,19+/m0/s1
InChIKeyDXBSUQBWBUPQHG-RBUKOAKNSA-N
XLogP2.31
TPSA56.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.45
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(2S,3S)-N-(2-acetamidoethyl)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyloxolane-3-carboxamide
CID 138002359
(2S,3S)-N-(2-ethoxyethyl)-2-(1-ethylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 129005878
(2S,3S)-N-(2-anilino-2-oxoethyl)-2-(1-benzylpyrazol-4-yl)-N-methyloxolane-3-carboxamide
CID 128965826
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(6-methoxy-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128965082
(2S,3S)-N-methyl-2-(1-propan-2-ylpyrazol-4-yl)-N-(2-pyridin-2-ylethyl)oxolane-3-carboxamide
CID 128968659
2-(1-benzylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 122235493
(2S,3S)-N-[(2S)-2-(1,3-benzothiazol-2-yl)propyl]-2-[1-(2-methoxyethyl)pyrazol-4-yl]oxolane-3-carboxamide
CID 129323561
(2S,3S)-N-[(2-fluorophenyl)methyl]-N-methyl-2-(1-methylpyrazol-4-yl)oxolane-3-carboxamide
CID 129005523
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methyl]oxolane-3-carboxamide
CID 128995423
(2S,3R)-2-(1-ethylpyrazol-4-yl)oxolane-3-carboxylic acid
CID 124681119
(2S,3S)-N-methyl-N-[(5-methylfuran-2-yl)methyl]-2-(1-phenylpyrazol-4-yl)oxolane-3-carboxamide
CID 128966174
(2R,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]oxolan-3-amine
CID 167823864

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide (CID 128970695) is (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide is COCCn1cc([C@H]2OCC[C@@H]2C(=O)N(C)CCc2ccccc2)cn1.
What is the InChIKey of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide?
The InChIKey is DXBSUQBWBUPQHG-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H27N3O3/c1-22(10-8-16-6-4-3-5-7-16)20(24)18-9-12-26-19(18)17-14-21-23(15-17)11-13-25-2/h3-7,14-15,18-19H,8-13H2,1-2H3/t18-,19+/m0/s1.
What are the key properties of (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide?
(2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide has a molecular weight of 357.45 g/mol, XLogP of 2.31, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[1-(2-methoxyethyl)pyrazol-4-yl]-N-methyl-N-(2-phenylethyl)oxolane-3-carboxamide is sourced from PubChem (CID 128970695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).