N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide

C24H24N2O3 — CID 66635138

IUPACN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCOc1ccc(C#Cc2ccc(CC(C)NC(=O)c3ocnc3C)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-4-28-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-17(2)26-24(27)23-18(3)25-16-29-23/h7-14,16-17H,4,15H2,1-3H3,(H,26,27)
InChIKeyHREVHHSTUJLVBP-UHFFFAOYSA-N
MW388.47 g/mol
LogP4.14
Rot. Bonds6

About N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide

N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 66635138) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID66635138
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC NameN-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCOc1ccc(C#Cc2ccc(CC(C)NC(=O)c3ocnc3C)cc2)cc1
InChIInChI=1S/C24H24N2O3/c1-4-28-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-17(2)26-24(27)23-18(3)25-16-29-23/h7-14,16-17H,4,15H2,1-3H3,(H,26,27)
InChIKeyHREVHHSTUJLVBP-UHFFFAOYSA-N
XLogP4.14
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.47
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide (CID 66635138) is N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide is CCOc1ccc(C#Cc2ccc(CC(C)NC(=O)c3ocnc3C)cc2)cc1.
What is the InChIKey of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is HREVHHSTUJLVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-4-28-22-13-11-20(12-14-22)6-5-19-7-9-21(10-8-19)15-17(2)26-24(27)23-18(3)25-16-29-23/h7-14,16-17H,4,15H2,1-3H3,(H,26,27).
What are the key properties of N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide?
N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 388.47 g/mol, XLogP of 4.14, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-[2-(4-ethoxyphenyl)ethynyl]phenyl]propan-2-yl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 66635138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).