N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide

C22H24N2O5 — CID 45238522

IUPACN-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(OCC(O)CNC(=O)c2cc(CCc3ccccc3)no2)c1
InChIInChI=1S/C22H24N2O5/c1-27-19-8-5-9-20(13-19)28-15-18(25)14-23-22(26)21-12-17(24-29-21)11-10-16-6-3-2-4-7-16/h2-9,12-13,18,25H,10-11,14-15H2,1H3,(H,23,26)
InChIKeyZDKSPTOKTHQCPA-UHFFFAOYSA-N
MW396.44 g/mol
LogP2.64
Rot. Bonds10

About N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide

N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide (PubChem CID 45238522) has the molecular formula C22H24N2O5 and a molecular weight of 396.44 g/mol. Its IUPAC name is N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide
PubChem CID45238522
Molecular FormulaC22H24N2O5
Molecular Weight396.44 g/mol
Exact Mass396.17
IUPAC NameN-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(OCC(O)CNC(=O)c2cc(CCc3ccccc3)no2)c1
InChIInChI=1S/C22H24N2O5/c1-27-19-8-5-9-20(13-19)28-15-18(25)14-23-22(26)21-12-17(24-29-21)11-10-16-6-3-2-4-7-16/h2-9,12-13,18,25H,10-11,14-15H2,1H3,(H,23,26)
InChIKeyZDKSPTOKTHQCPA-UHFFFAOYSA-N
XLogP2.64
TPSA93.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.44
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

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N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
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Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide (CID 45238522) is N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide is COc1cccc(OCC(O)CNC(=O)c2cc(CCc3ccccc3)no2)c1.
What is the InChIKey of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
The InChIKey is ZDKSPTOKTHQCPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O5/c1-27-19-8-5-9-20(13-19)28-15-18(25)14-23-22(26)21-12-17(24-29-21)11-10-16-6-3-2-4-7-16/h2-9,12-13,18,25H,10-11,14-15H2,1H3,(H,23,26).
What are the key properties of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide?
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide has a molecular weight of 396.44 g/mol, XLogP of 2.64, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 45238522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).