3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid

C17H19NO4S — CID 153094492

IUPAC3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid
SMILESCC(C)c1cnc(-c2cc(OC3CCOC3)cc(C(=O)O)c2)s1
InChIInChI=1S/C17H19NO4S/c1-10(2)15-8-18-16(23-15)11-5-12(17(19)20)7-14(6-11)22-13-3-4-21-9-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyVPVHOQDEZKUVRS-UHFFFAOYSA-N
MW333.41 g/mol
LogP3.80
Rot. Bonds5

About 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid

3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid (PubChem CID 153094492) has the molecular formula C17H19NO4S and a molecular weight of 333.41 g/mol. Its IUPAC name is 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid.

Molecular Properties

Compound Name3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid
PubChem CID153094492
Molecular FormulaC17H19NO4S
Molecular Weight333.41 g/mol
Exact Mass333.10
IUPAC Name3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid
SMILESCC(C)c1cnc(-c2cc(OC3CCOC3)cc(C(=O)O)c2)s1
InChIInChI=1S/C17H19NO4S/c1-10(2)15-8-18-16(23-15)11-5-12(17(19)20)7-14(6-11)22-13-3-4-21-9-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,19,20)
InChIKeyVPVHOQDEZKUVRS-UHFFFAOYSA-N
XLogP3.80
TPSA68.65 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3S)-oxolan-3-yl]oxy-5-(5-propan-2-yl-1,3-thiazol-2-yl)-N-[1-[2-(trifluoromethyl)pyrimidin-5-yl]ethyl]benzamide
CID 134327894
3-(5-chloro-1,3-thiazol-2-yl)-5-(oxan-4-yloxy)benzoic acid
CID 121397311
3-(oxolan-2-ylmethoxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid
CID 145096537
methyl 3-(5-ethyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxybenzoate
CID 121397743
N-[(1R)-1-(2-methylpyrimidin-5-yl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 121397288
(3S)-1-[3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxyphenyl]-3-[2-(trifluoromethyl)pyrimidin-5-yl]butan-1-one
CID 163679078
3-(5-chloro-1,3-thiazol-2-yl)-N-[(1R)-1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 121397412
3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(5-methylpyrazin-2-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 134328339
3-(5-chloro-1,3-thiazol-2-yl)-N-[(1R)-1-(6-methylpyridazin-3-yl)ethyl]-5-[(3S)-oxolan-3-yl]oxybenzamide
CID 121397765
N-[1-(3-chloro-5-fluoro-2-pyridinyl)ethyl]-3-(5-methyl-1,3-thiazol-2-yl)-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 121397669
3-[5-(1,3-diiminopropan-2-yl)-1,3-thiazol-2-yl]-N-[(1R)-1-(5-ethenylpyrazin-2-yl)prop-2-enyl]-5-[(3S)-oxolan-3-yl]oxybenzamide
CID 163612282
3-(5-ethyl-1,3-thiazol-2-yl)-N-[1-(6-methylpyridazin-3-yl)ethyl]-5-[(3R)-oxolan-3-yl]oxybenzamide
CID 134328010

Frequently Asked Questions

What is the IUPAC name of 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid?
The IUPAC name of 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid (CID 153094492) is 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid.
What is the SMILES notation for 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid?
The canonical SMILES for 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid is CC(C)c1cnc(-c2cc(OC3CCOC3)cc(C(=O)O)c2)s1.
What is the InChIKey of 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid?
The InChIKey is VPVHOQDEZKUVRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19NO4S/c1-10(2)15-8-18-16(23-15)11-5-12(17(19)20)7-14(6-11)22-13-3-4-21-9-13/h5-8,10,13H,3-4,9H2,1-2H3,(H,19,20).
What are the key properties of 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid?
3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid has a molecular weight of 333.41 g/mol, XLogP of 3.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(oxolan-3-yloxy)-5-(5-propan-2-yl-1,3-thiazol-2-yl)benzoic acid is sourced from PubChem (CID 153094492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).