3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide

C15H16N2O4 — CID 135619804

IUPAC3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccccc2O)no1
InChIInChI=1S/C15H16N2O4/c18-13-6-2-1-5-11(13)12-8-14(21-17-12)15(19)16-9-10-4-3-7-20-10/h1-2,5-6,8,10,18H,3-4,7,9H2,(H,16,19)
InChIKeyBFNVIVKYCJEEHN-UHFFFAOYSA-N
MW288.30 g/mol
LogP1.96
Rot. Bonds4

About 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide

3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide (PubChem CID 135619804) has the molecular formula C15H16N2O4 and a molecular weight of 288.30 g/mol. Its IUPAC name is 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
PubChem CID135619804
Molecular FormulaC15H16N2O4
Molecular Weight288.30 g/mol
Exact Mass288.11
IUPAC Name3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
SMILESO=C(NCC1CCCO1)c1cc(-c2ccccc2O)no1
InChIInChI=1S/C15H16N2O4/c18-13-6-2-1-5-11(13)12-8-14(21-17-12)15(19)16-9-10-4-3-7-20-10/h1-2,5-6,8,10,18H,3-4,7,9H2,(H,16,19)
InChIKeyBFNVIVKYCJEEHN-UHFFFAOYSA-N
XLogP1.96
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.30
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(2-hydroxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 135936097
3-(4-fluorophenyl)-N-[[(2R)-oxolan-2-yl]methyl]-1,2-oxazole-5-carboxamide
CID 40649827
N-(oxolan-2-ylmethyl)-3-phenylmethoxy-1,2-oxazole-5-carboxamide
CID 90574102
3-methoxy-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide
CID 90573784
N-(1-adamantylmethyl)-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
CID 135620163
N-[[(2S)-oxolan-2-yl]methyl]-2-phenylbenzamide
CID 686682
3-(oxolan-2-ylmethylcarbamoyl)-1,2-oxazole-5-carboxylic acid
CID 107369165
9,10-dioxo-N-[[(2S)-oxolan-2-yl]methyl]anthracene-2-carboxamide
CID 42559548
N-[[(2S)-oxolan-2-yl]methyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 1093732
N-butan-2-yl-3-(2-hydroxyphenyl)-1,2-oxazole-5-carboxamide
CID 135506185
2-N,6-N-bis(oxolan-2-ylmethyl)pyridine-2,6-dicarboxamide
CID 4668561
N-[[(2S)-oxolan-2-yl]methyl]-3-phenyl-1H-pyrazole-5-carboxamide
CID 50985207

Frequently Asked Questions

What is the IUPAC name of 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide (CID 135619804) is 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide is O=C(NCC1CCCO1)c1cc(-c2ccccc2O)no1.
What is the InChIKey of 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is BFNVIVKYCJEEHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O4/c18-13-6-2-1-5-11(13)12-8-14(21-17-12)15(19)16-9-10-4-3-7-20-10/h1-2,5-6,8,10,18H,3-4,7,9H2,(H,16,19).
What are the key properties of 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide?
3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 288.30 g/mol, XLogP of 1.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-hydroxyphenyl)-N-(oxolan-2-ylmethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 135619804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).