3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide

C18H23N3O3 — CID 38615399

IUPAC3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
SMILESC[C@@H](Cn1cccn1)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H23N3O3/c1-14(12-21-9-4-8-19-21)20-18(22)15-5-2-6-16(11-15)24-13-17-7-3-10-23-17/h2,4-6,8-9,11,14,17H,3,7,10,12-13H2,1H3,(H,20,22)/t14-,17-/m0/s1
InChIKeyTXHGPPAYUGPGPN-YOEHRIQHSA-N
MW329.40 g/mol
LogP2.26
Rot. Bonds7

About 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide

3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide (PubChem CID 38615399) has the molecular formula C18H23N3O3 and a molecular weight of 329.40 g/mol. Its IUPAC name is 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide.

Molecular Properties

Compound Name3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
PubChem CID38615399
Molecular FormulaC18H23N3O3
Molecular Weight329.40 g/mol
Exact Mass329.17
IUPAC Name3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide
SMILESC[C@@H](Cn1cccn1)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1
InChIInChI=1S/C18H23N3O3/c1-14(12-21-9-4-8-19-21)20-18(22)15-5-2-6-16(11-15)24-13-17-7-3-10-23-17/h2,4-6,8-9,11,14,17H,3,7,10,12-13H2,1H3,(H,20,22)/t14-,17-/m0/s1
InChIKeyTXHGPPAYUGPGPN-YOEHRIQHSA-N
XLogP2.26
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119225550
(2R)-4-methyl-2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]pentanoic acid
CID 119364315
N-[2-(methylamino)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 120827818
N-[1-(4-methylphenyl)propyl]-3-(oxolan-2-ylmethoxy)benzamide
CID 46420066
N-(3-methylbutyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134023713
1-[[(2S)-oxolan-2-yl]methyl]-1-[[(2R)-oxolan-2-yl]methyl]-3-[(2R)-1-pyrazol-1-ylpropan-2-yl]urea
CID 94178029
2-methyl-3-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]propanoic acid
CID 119237324
N-butan-2-yl-3-[[2-oxo-2-[3-(oxolan-2-ylmethoxy)anilino]ethyl]amino]benzamide
CID 54835219
1-[3-(oxolan-2-ylmethoxy)phenyl]ethanone
CID 24697722
2-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]-3-phenylpropanoic acid
CID 119165878
propan-2-yl 4-[[3-(oxolan-2-ylmethoxy)benzoyl]amino]benzoate
CID 24633199
N-(2-acetamidoethyl)-3-(oxolan-2-ylmethoxy)benzamide
CID 134057513

Frequently Asked Questions

What is the IUPAC name of 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
The IUPAC name of 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide (CID 38615399) is 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide.
What is the SMILES notation for 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
The canonical SMILES for 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide is C[C@@H](Cn1cccn1)NC(=O)c1cccc(OC[C@@H]2CCCO2)c1.
What is the InChIKey of 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
The InChIKey is TXHGPPAYUGPGPN-YOEHRIQHSA-N. The full InChI is InChI=1S/C18H23N3O3/c1-14(12-21-9-4-8-19-21)20-18(22)15-5-2-6-16(11-15)24-13-17-7-3-10-23-17/h2,4-6,8-9,11,14,17H,3,7,10,12-13H2,1H3,(H,20,22)/t14-,17-/m0/s1.
What are the key properties of 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide?
3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide has a molecular weight of 329.40 g/mol, XLogP of 2.26, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2S)-oxolan-2-yl]methoxy]-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]benzamide is sourced from PubChem (CID 38615399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).