N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

C19H18N2O3 — CID 2812771

IUPACN-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13-17(18(21-24-13)15-10-6-3-7-11-15)19(23)20-12-16(22)14-8-4-2-5-9-14/h2-11,16,22H,12H2,1H3,(H,20,23)
InChIKeyXUNRVNUQYQPLNJ-UHFFFAOYSA-N
MW322.36 g/mol
LogP3.11
Rot. Bonds5

About N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide

N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (PubChem CID 2812771) has the molecular formula C19H18N2O3 and a molecular weight of 322.36 g/mol. Its IUPAC name is N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
PubChem CID2812771
Molecular FormulaC19H18N2O3
Molecular Weight322.36 g/mol
Exact Mass322.13
IUPAC NameN-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
SMILESCc1onc(-c2ccccc2)c1C(=O)NCC(O)c1ccccc1
InChIInChI=1S/C19H18N2O3/c1-13-17(18(21-24-13)15-10-6-3-7-11-15)19(23)20-12-16(22)14-8-4-2-5-9-14/h2-11,16,22H,12H2,1H3,(H,20,23)
InChIKeyXUNRVNUQYQPLNJ-UHFFFAOYSA-N
XLogP3.11
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The IUPAC name of N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide (CID 2812771) is N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is Cc1onc(-c2ccccc2)c1C(=O)NCC(O)c1ccccc1.
What is the InChIKey of N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
The InChIKey is XUNRVNUQYQPLNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O3/c1-13-17(18(21-24-13)15-10-6-3-7-11-15)19(23)20-12-16(22)14-8-4-2-5-9-14/h2-11,16,22H,12H2,1H3,(H,20,23).
What are the key properties of N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide?
N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide has a molecular weight of 322.36 g/mol, XLogP of 3.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-hydroxy-2-phenylethyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 2812771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).