(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide

C17H21N3O3 — CID 100819925

IUPAC(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide
SMILESC[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c1-13(17(21)18-12-15-8-5-11-22-15)23-16-9-10-20(19-16)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,18,21)/t13-,15+/m1/s1
InChIKeyOEIMIXRFHDGQRY-HIFRSBDPSA-N
MW315.37 g/mol
LogP1.93
Rot. Bonds6

About (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide

(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide (PubChem CID 100819925) has the molecular formula C17H21N3O3 and a molecular weight of 315.37 g/mol. Its IUPAC name is (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide.

Molecular Properties

Compound Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide
PubChem CID100819925
Molecular FormulaC17H21N3O3
Molecular Weight315.37 g/mol
Exact Mass315.16
IUPAC Name(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide
SMILESC[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NC[C@@H]1CCCO1
InChIInChI=1S/C17H21N3O3/c1-13(17(21)18-12-15-8-5-11-22-15)23-16-9-10-20(19-16)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,18,21)/t13-,15+/m1/s1
InChIKeyOEIMIXRFHDGQRY-HIFRSBDPSA-N
XLogP1.93
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.37
LogP ≤ 51.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[(2S)-oxolan-2-yl]methyl]-2-[(1-phenylpyrazol-3-yl)methylsulfanyl]acetamide
CID 97083267
(2R)-2-(2,3-dimethylphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 28984853
(2R)-2-(4-methylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 837819
(2S)-2-(4-methoxyphenoxy)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 925185
2-(3-methoxyphenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 19203851
2-(2-benzoylpyrrol-1-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3237476
(2S)-2-(2,3-dichlorophenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 42561363
2-(2,3-dichlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 17249245
2-(3-chlorophenoxy)-N-(oxolan-2-ylmethyl)propanamide
CID 2932985
(2S)-2-(1,3-dioxoisoindol-2-yl)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 776917
2-(1,3-dioxoisoindol-2-yl)-N-(oxolan-2-ylmethyl)propanamide
CID 3128939
(2R)-2-(4-tert-butylphenoxy)-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 1301403

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide?
The IUPAC name of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide (CID 100819925) is (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide.
What is the SMILES notation for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide?
The canonical SMILES for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide is C[C@@H](Oc1ccn(-c2ccccc2)n1)C(=O)NC[C@@H]1CCCO1.
What is the InChIKey of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide?
The InChIKey is OEIMIXRFHDGQRY-HIFRSBDPSA-N. The full InChI is InChI=1S/C17H21N3O3/c1-13(17(21)18-12-15-8-5-11-22-15)23-16-9-10-20(19-16)14-6-3-2-4-7-14/h2-4,6-7,9-10,13,15H,5,8,11-12H2,1H3,(H,18,21)/t13-,15+/m1/s1.
What are the key properties of (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide?
(2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide has a molecular weight of 315.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[(2S)-oxolan-2-yl]methyl]-2-(1-phenylpyrazol-3-yl)oxypropanamide is sourced from PubChem (CID 100819925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).