4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

C21H21FN2O4 — CID 90326125

IUPAC4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1noc(COCc2ccc3ccccc3c2)c1F
InChIInChI=1S/C21H21FN2O4/c22-19-18(28-24-20(19)21(25)23-10-15-7-8-26-12-15)13-27-11-14-5-6-16-3-1-2-4-17(16)9-14/h1-6,9,15H,7-8,10-13H2,(H,23,25)
InChIKeyHKMATBKCBKAFOB-UHFFFAOYSA-N
MW384.41 g/mol
LogP3.45
Rot. Bonds7

About 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide

4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (PubChem CID 90326125) has the molecular formula C21H21FN2O4 and a molecular weight of 384.41 g/mol. Its IUPAC name is 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
PubChem CID90326125
Molecular FormulaC21H21FN2O4
Molecular Weight384.41 g/mol
Exact Mass384.15
IUPAC Name4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide
SMILESO=C(NCC1CCOC1)c1noc(COCc2ccc3ccccc3c2)c1F
InChIInChI=1S/C21H21FN2O4/c22-19-18(28-24-20(19)21(25)23-10-15-7-8-26-12-15)13-27-11-14-5-6-16-3-1-2-4-17(16)9-14/h1-6,9,15H,7-8,10-13H2,(H,23,25)
InChIKeyHKMATBKCBKAFOB-UHFFFAOYSA-N
XLogP3.45
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.41
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide (CID 90326125) is 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is O=C(NCC1CCOC1)c1noc(COCc2ccc3ccccc3c2)c1F.
What is the InChIKey of 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
The InChIKey is HKMATBKCBKAFOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN2O4/c22-19-18(28-24-20(19)21(25)23-10-15-7-8-26-12-15)13-27-11-14-5-6-16-3-1-2-4-17(16)9-14/h1-6,9,15H,7-8,10-13H2,(H,23,25).
What are the key properties of 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide?
4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide has a molecular weight of 384.41 g/mol, XLogP of 3.45, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-5-(naphthalen-2-ylmethoxymethyl)-N-(oxolan-3-ylmethyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 90326125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).