4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid

C18H15NO5 — CID 145031213

IUPAC4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(OCc2ccccc2)c1-c1ccccc1CO
InChIInChI=1S/C18H15NO5/c20-10-13-8-4-5-9-14(13)15-16(18(21)22)24-19-17(15)23-11-12-6-2-1-3-7-12/h1-9,20H,10-11H2,(H,21,22)
InChIKeyNFBCJKWPLPUUNM-UHFFFAOYSA-N
MW325.32 g/mol
LogP3.11
Rot. Bonds6

About 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid

4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid (PubChem CID 145031213) has the molecular formula C18H15NO5 and a molecular weight of 325.32 g/mol. Its IUPAC name is 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid
PubChem CID145031213
Molecular FormulaC18H15NO5
Molecular Weight325.32 g/mol
Exact Mass325.10
IUPAC Name4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(OCc2ccccc2)c1-c1ccccc1CO
InChIInChI=1S/C18H15NO5/c20-10-13-8-4-5-9-14(13)15-16(18(21)22)24-19-17(15)23-11-12-6-2-1-3-7-12/h1-9,20H,10-11H2,(H,21,22)
InChIKeyNFBCJKWPLPUUNM-UHFFFAOYSA-N
XLogP3.11
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.32
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2-phenylmethoxy-3-pyridinyl)methanol
CID 59210835
3-[2-(hydroxymethyl)phenyl]pyridine-2-carboxylic acid
CID 53222725
benzyl 3-(hydroxymethyl)pyridine-2-carboxylate
CID 145128484
benzoic acid;[2-[2-(hydroxymethyl)phenyl]phenyl]methanol
CID 69100469
3-(hydroxymethyl)-4-phenylmethoxybenzoic acid
CID 90442233
[2-(3-methyl-5-phenylmethoxyphenyl)phenyl]methanol
CID 70087922
[4-(hydroxymethyl)-6-methyl-5-phenylmethoxy-3-pyridinyl]methanol
CID 820399
[(Z)-1-(4-bromo-3-phenylmethoxy-1,2-oxazol-5-yl)prop-1-enyl] methanesulfonate
CID 59390057
4-[2-(2-phenylmethoxy-3-pyridinyl)ethyl]benzoic acid
CID 18973964
CID 6334341
CID 6334341
(3-amino-6-methyl-2-phenylmethoxy-4-pyridinyl)methanol
CID 139508361
[2-(hydroxymethyl)-3-phenylmethoxyphenyl]methanol
CID 54499676

Frequently Asked Questions

What is the IUPAC name of 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid (CID 145031213) is 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid is O=C(O)c1onc(OCc2ccccc2)c1-c1ccccc1CO.
What is the InChIKey of 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid?
The InChIKey is NFBCJKWPLPUUNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15NO5/c20-10-13-8-4-5-9-14(13)15-16(18(21)22)24-19-17(15)23-11-12-6-2-1-3-7-12/h1-9,20H,10-11H2,(H,21,22).
What are the key properties of 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid?
4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid has a molecular weight of 325.32 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(hydroxymethyl)phenyl]-3-phenylmethoxy-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 145031213), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).