4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

C17H20N2O3S — CID 95317070

IUPAC4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H20N2O3S/c20-17(18-8-7-14-11-23-12-19-14)13-3-5-15(6-4-13)22-10-16-2-1-9-21-16/h3-6,11-12,16H,1-2,7-10H2,(H,18,20)/t16-/m0/s1
InChIKeyMSDRWSZPQMXKBJ-INIZCTEOSA-N
MW332.43 g/mol
LogP2.67
Rot. Bonds7

About 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide

4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 95317070) has the molecular formula C17H20N2O3S and a molecular weight of 332.43 g/mol. Its IUPAC name is 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID95317070
Molecular FormulaC17H20N2O3S
Molecular Weight332.43 g/mol
Exact Mass332.12
IUPAC Name4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide
SMILESO=C(NCCc1cscn1)c1ccc(OC[C@@H]2CCCO2)cc1
InChIInChI=1S/C17H20N2O3S/c20-17(18-8-7-14-11-23-12-19-14)13-3-5-15(6-4-13)22-10-16-2-1-9-21-16/h3-6,11-12,16H,1-2,7-10H2,(H,18,20)/t16-/m0/s1
InChIKeyMSDRWSZPQMXKBJ-INIZCTEOSA-N
XLogP2.67
TPSA60.45 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.43
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(cyclopropanecarbonylamino)ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 51153011
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036
N-cycloheptyl-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2125237
4-(oxolan-2-ylmethoxy)-N-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethyl]benzamide
CID 51208285
N-[2-[(3,5-dichloro-2-pyridinyl)amino]ethyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 55722300
N-(2-amino-2-ethylbutyl)-4-(oxolan-2-ylmethoxy)benzamide
CID 119641383
N-(3-methoxypropyl)-4-[[4-(oxolan-2-ylmethoxy)benzoyl]amino]benzamide
CID 17222449
N-[(2-methyl-1,3-thiazol-5-yl)methyl]-4-(oxolan-2-ylmethoxy)benzamide
CID 86825645
N-(oxolan-2-ylmethyl)-2-(1,3-thiazol-4-yl)ethanamine
CID 82835172
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
4-(oxolan-2-ylmethoxy)-N-(1H-pyrazol-5-ylmethyl)benzamide
CID 91641650
N-[(2S)-2-(dimethylamino)-2-thiophen-3-ylethyl]-4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 32629427

Frequently Asked Questions

What is the IUPAC name of 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide (CID 95317070) is 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is O=C(NCCc1cscn1)c1ccc(OC[C@@H]2CCCO2)cc1.
What is the InChIKey of 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is MSDRWSZPQMXKBJ-INIZCTEOSA-N. The full InChI is InChI=1S/C17H20N2O3S/c20-17(18-8-7-14-11-23-12-19-14)13-3-5-15(6-4-13)22-10-16-2-1-9-21-16/h3-6,11-12,16H,1-2,7-10H2,(H,18,20)/t16-/m0/s1.
What are the key properties of 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide?
4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 332.43 g/mol, XLogP of 2.67, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2S)-oxolan-2-yl]methoxy]-N-[2-(1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 95317070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).