4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid

C16H17NO5 — CID 54846599

IUPAC4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1c(C(=O)O)noc1-c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H17NO5/c1-10-14(16(18)19)17-22-15(10)11-4-6-12(7-5-11)21-9-13-3-2-8-20-13/h4-7,13H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyDLWUFZSSTUKYFB-UHFFFAOYSA-N
MW303.31 g/mol
LogP2.91
Rot. Bonds5

About 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid

4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 54846599) has the molecular formula C16H17NO5 and a molecular weight of 303.31 g/mol. Its IUPAC name is 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID54846599
Molecular FormulaC16H17NO5
Molecular Weight303.31 g/mol
Exact Mass303.11
IUPAC Name4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1c(C(=O)O)noc1-c1ccc(OCC2CCCO2)cc1
InChIInChI=1S/C16H17NO5/c1-10-14(16(18)19)17-22-15(10)11-4-6-12(7-5-11)21-9-13-3-2-8-20-13/h4-7,13H,2-3,8-9H2,1H3,(H,18,19)
InChIKeyDLWUFZSSTUKYFB-UHFFFAOYSA-N
XLogP2.91
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.31
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 54846758
5-methyl-3-[4-(oxolan-2-ylmethoxy)phenyl]-1H-pyrazole-4-carboxylic acid
CID 54850823
1,3-bis[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]urea
CID 41436663
1-[4-(oxolan-2-ylmethoxy)phenyl]propan-1-one
CID 24702536
4-[[(2R)-oxolan-2-yl]methoxy]benzamide
CID 2541314
N'-[4-(oxolan-2-ylmethoxy)benzoyl]-4-phenylbenzohydrazide
CID 17222468
N-[[4-(oxolan-2-ylmethoxy)phenyl]methyl]ethanamine
CID 43214097
5-methyl-N-[[4-[[(2S)-oxolan-2-yl]methoxy]phenyl]methyl]-1,2-oxazole-3-carboxamide
CID 94025887
5-methyl-3-[4-[[(2S)-oxan-2-yl]methoxy]phenyl]-1,2,4-oxadiazole
CID 95265259
4-methyl-N-[4-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 4957909
1-[4-[4-(oxolan-2-ylmethoxy)benzoyl]piperazin-1-yl]ethanone
CID 78777666
N'-benzoyl-4-[[(2R)-oxolan-2-yl]methoxy]benzohydrazide
CID 2093036

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid (CID 54846599) is 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is Cc1c(C(=O)O)noc1-c1ccc(OCC2CCCO2)cc1.
What is the InChIKey of 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is DLWUFZSSTUKYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17NO5/c1-10-14(16(18)19)17-22-15(10)11-4-6-12(7-5-11)21-9-13-3-2-8-20-13/h4-7,13H,2-3,8-9H2,1H3,(H,18,19).
What are the key properties of 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid?
4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 303.31 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[4-(oxolan-2-ylmethoxy)phenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 54846599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).