(2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

C18H22FN3O3 — CID 124617036

IUPAC(2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1-c1cccc(F)c1
InChIInChI=1S/C18H22FN3O3/c1-13(25-12-16-7-2-3-10-24-16)18(23)21-17-8-9-20-22(17)15-6-4-5-14(19)11-15/h4-6,8-9,11,13,16H,2-3,7,10,12H2,1H3,(H,21,23)/t13-,16+/m0/s1
InChIKeyXSURSTDKAPMQPX-XJKSGUPXSA-N
MW347.39 g/mol
LogP2.92
Rot. Bonds6

About (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide

(2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (PubChem CID 124617036) has the molecular formula C18H22FN3O3 and a molecular weight of 347.39 g/mol. Its IUPAC name is (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.

Molecular Properties

Compound Name(2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
PubChem CID124617036
Molecular FormulaC18H22FN3O3
Molecular Weight347.39 g/mol
Exact Mass347.16
IUPAC Name(2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide
SMILESC[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1-c1cccc(F)c1
InChIInChI=1S/C18H22FN3O3/c1-13(25-12-16-7-2-3-10-24-16)18(23)21-17-8-9-20-22(17)15-6-4-5-14(19)11-15/h4-6,8-9,11,13,16H,2-3,7,10,12H2,1H3,(H,21,23)/t13-,16+/m0/s1
InChIKeyXSURSTDKAPMQPX-XJKSGUPXSA-N
XLogP2.92
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.39
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[4-(3-fluorophenyl)-3-pyridinyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 124609800
3-[2-(oxan-2-ylmethoxy)propanoylamino]benzoic acid
CID 119219567
N-(5-amino-2-fluorophenyl)-2-(oxan-2-ylmethoxy)propanamide
CID 18070263
(2S)-2-[[(2S)-oxan-2-yl]methoxy]-N-(2-pyrrolidin-1-yl-3-pyridinyl)propanamide
CID 95273188
(2S)-2-[[(2R)-oxan-2-yl]methoxy]-N-(3-phenyl-2-pyridinyl)propanamide
CID 124615556
1-(3-fluorophenyl)-N-(oxolan-2-ylmethyl)-5-propan-2-ylpyrazole-4-carboxamide
CID 24712301
(2S)-N-(1-benzylimidazol-2-yl)-2-[[(2R)-oxan-2-yl]methoxy]propanamide
CID 94820641
(2S)-N-[(1R)-1-(3,4-difluorophenyl)ethyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 95325731
(2R)-N-[2-(azepan-1-yl)phenyl]-2-[[(2S)-oxan-2-yl]methoxy]propanamide
CID 97003852
N-(4-fluorophenoxy)-2-(oxolan-2-ylmethoxy)propanamide
CID 126834949
4-fluoro-N'-[2-(oxolan-2-ylmethoxy)propanoyl]benzohydrazide
CID 47080643
(2S)-N-[2-(difluoromethoxy)-6-methylphenyl]-2-[[(2S)-oxolan-2-yl]methoxy]propanamide
CID 95281098

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The IUPAC name of (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide (CID 124617036) is (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide.
What is the SMILES notation for (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The canonical SMILES for (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is C[C@H](OC[C@H]1CCCCO1)C(=O)Nc1ccnn1-c1cccc(F)c1.
What is the InChIKey of (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
The InChIKey is XSURSTDKAPMQPX-XJKSGUPXSA-N. The full InChI is InChI=1S/C18H22FN3O3/c1-13(25-12-16-7-2-3-10-24-16)18(23)21-17-8-9-20-22(17)15-6-4-5-14(19)11-15/h4-6,8-9,11,13,16H,2-3,7,10,12H2,1H3,(H,21,23)/t13-,16+/m0/s1.
What are the key properties of (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide?
(2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide has a molecular weight of 347.39 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[2-(3-fluorophenyl)pyrazol-3-yl]-2-[[(2R)-oxan-2-yl]methoxy]propanamide is sourced from PubChem (CID 124617036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).