N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C17H16N2O4 — CID 17095631

IUPACN-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3cccc(O)c3)C2)cc1
InChIInChI=1S/C17H16N2O4/c1-22-14-7-5-11(6-8-14)15-10-16(23-19-15)17(21)18-12-3-2-4-13(20)9-12/h2-9,16,20H,10H2,1H3,(H,18,21)
InChIKeyWLLYWWFVXUBJRT-UHFFFAOYSA-N
MW312.33 g/mol
LogP2.53
Rot. Bonds4

About N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 17095631) has the molecular formula C17H16N2O4 and a molecular weight of 312.33 g/mol. Its IUPAC name is N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID17095631
Molecular FormulaC17H16N2O4
Molecular Weight312.33 g/mol
Exact Mass312.11
IUPAC NameN-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)Nc3cccc(O)c3)C2)cc1
InChIInChI=1S/C17H16N2O4/c1-22-14-7-5-11(6-8-14)15-10-16(23-19-15)17(21)18-12-3-2-4-13(20)9-12/h2-9,16,20H,10H2,1H3,(H,18,21)
InChIKeyWLLYWWFVXUBJRT-UHFFFAOYSA-N
XLogP2.53
TPSA80.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 17095631) is N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)Nc3cccc(O)c3)C2)cc1.
What is the InChIKey of N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is WLLYWWFVXUBJRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O4/c1-22-14-7-5-11(6-8-14)15-10-16(23-19-15)17(21)18-12-3-2-4-13(20)9-12/h2-9,16,20H,10H2,1H3,(H,18,21).
What are the key properties of N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 312.33 g/mol, XLogP of 2.53, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-hydroxyphenyl)-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 17095631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).