3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

C18H22N2O3S — CID 175824971

IUPAC3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(-c2cc(OC[C@H]3CCCO3)cc(C(N)=O)c2)s1
InChIInChI=1S/C18H22N2O3S/c1-11(2)16-9-20-18(24-16)13-6-12(17(19)21)7-15(8-13)23-10-14-4-3-5-22-14/h6-9,11,14H,3-5,10H2,1-2H3,(H2,19,21)/t14-/m1/s1
InChIKeySRWMZEPYPYTBHG-CQSZACIVSA-N
MW346.45 g/mol
LogP3.59
Rot. Bonds6

About 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide

3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 175824971) has the molecular formula C18H22N2O3S and a molecular weight of 346.45 g/mol. Its IUPAC name is 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID175824971
Molecular FormulaC18H22N2O3S
Molecular Weight346.45 g/mol
Exact Mass346.14
IUPAC Name3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
SMILESCC(C)c1cnc(-c2cc(OC[C@H]3CCCO3)cc(C(N)=O)c2)s1
InChIInChI=1S/C18H22N2O3S/c1-11(2)16-9-20-18(24-16)13-6-12(17(19)21)7-15(8-13)23-10-14-4-3-5-22-14/h6-9,11,14H,3-5,10H2,1-2H3,(H2,19,21)/t14-/m1/s1
InChIKeySRWMZEPYPYTBHG-CQSZACIVSA-N
XLogP3.59
TPSA74.44 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.45
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(oxolan-2-ylmethoxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid
CID 145096537
N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-(oxolan-2-ylmethoxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 121405137
N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-3-[[(2S)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide
CID 121397738
N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 121397244
N-[1-(5-methylpyrazin-2-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 134328277
N-[(5-methylpyrazin-2-yl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-(oxolan-2-ylmethoxy)benzamide
CID 134328164
3-(5-cyclobutyl-1,3-thiazol-2-yl)-5-[[(2S)-oxolan-2-yl]methoxy]-N-[(1R)-1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide
CID 121397755
3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid
CID 153094492
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
N-[(5-chloro-3-fluoro-2-pyridinyl)methyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[[(2S)-oxolan-2-yl]methoxy]benzamide
CID 121397391
3-[[(3S)-oxolan-3-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)-N-[1-[6-(trifluoromethyl)pyridazin-3-yl]ethyl]benzamide
CID 134328275
3-(4-methylphenyl)-N-[(1R)-1-(6-methyl-3-pyridinyl)ethyl]-5-(oxolan-2-ylmethoxy)benzamide
CID 58188284

Frequently Asked Questions

What is the IUPAC name of 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide (CID 175824971) is 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is CC(C)c1cnc(-c2cc(OC[C@H]3CCCO3)cc(C(N)=O)c2)s1.
What is the InChIKey of 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is SRWMZEPYPYTBHG-CQSZACIVSA-N. The full InChI is InChI=1S/C18H22N2O3S/c1-11(2)16-9-20-18(24-16)13-6-12(17(19)21)7-15(8-13)23-10-14-4-3-5-22-14/h6-9,11,14H,3-5,10H2,1-2H3,(H2,19,21)/t14-/m1/s1.
What are the key properties of 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide?
3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 346.45 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2R)-oxolan-2-yl]methoxy]-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 175824971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).