5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide

C29H29N3O4 — CID 53122944

IUPAC5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C29H29N3O4/c1-4-32(22-10-6-5-7-11-22)29(34)25-13-9-8-12-24(25)27-26(31-19-35-27)28(33)30-18-21-14-16-23(17-15-21)36-20(2)3/h5-17,19-20H,4,18H2,1-3H3,(H,30,33)
InChIKeyHOYYTHCNEDAQDW-UHFFFAOYSA-N
MW483.57 g/mol
LogP5.73
Rot. Bonds9

About 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide

5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide (PubChem CID 53122944) has the molecular formula C29H29N3O4 and a molecular weight of 483.57 g/mol. Its IUPAC name is 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide
PubChem CID53122944
Molecular FormulaC29H29N3O4
Molecular Weight483.57 g/mol
Exact Mass483.22
IUPAC Name5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide
SMILESCCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccc(OC(C)C)cc1)c1ccccc1
InChIInChI=1S/C29H29N3O4/c1-4-32(22-10-6-5-7-11-22)29(34)25-13-9-8-12-24(25)27-26(31-19-35-27)28(33)30-18-21-14-16-23(17-15-21)36-20(2)3/h5-17,19-20H,4,18H2,1-3H3,(H,30,33)
InChIKeyHOYYTHCNEDAQDW-UHFFFAOYSA-N
XLogP5.73
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500483.57
LogP ≤ 55.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Related Compounds

N-[(2-ethoxyphenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122934
N-cyclopentyl-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122915
N-[(2-chloro-4-fluorophenyl)methyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122936
N-[2-(cyclohexen-1-yl)ethyl]-5-[2-[ethyl(phenyl)carbamoyl]phenyl]-1,3-oxazole-4-carboxamide
CID 53122930
methyl 5-[2-[(4-propoxyphenyl)methylcarbamoyl]phenyl]-1,3-oxazole-4-carboxylate
CID 46387237
N-ethyl-N-phenyl-2-[4-(4-pyridin-2-ylpiperazine-1-carbonyl)-1,3-oxazol-5-yl]benzamide
CID 53011665
2-methyl-N-[(4-propan-2-yloxyphenyl)methyl]benzamide
CID 46592887
N-[ethyl(phenyl)carbamothioyl]-4-propan-2-yloxybenzamide
CID 4952165
N-[(4-ethoxyphenyl)methyl]-4-propan-2-yloxybenzamide
CID 53282891
2-(N-methylsulfonylanilino)-N-[(4-propan-2-yloxyphenyl)methyl]propanamide
CID 46772863
2-ethoxy-N-[(4-propan-2-yloxyphenyl)methylcarbamothioyl]benzamide
CID 43911235
1-N-benzyl-4-N-(4-propan-2-yloxyphenyl)benzene-1,4-dicarboxamide
CID 109046741

Frequently Asked Questions

What is the IUPAC name of 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The IUPAC name of 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide (CID 53122944) is 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The canonical SMILES for 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide is CCN(C(=O)c1ccccc1-c1ocnc1C(=O)NCc1ccc(OC(C)C)cc1)c1ccccc1.
What is the InChIKey of 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
The InChIKey is HOYYTHCNEDAQDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O4/c1-4-32(22-10-6-5-7-11-22)29(34)25-13-9-8-12-24(25)27-26(31-19-35-27)28(33)30-18-21-14-16-23(17-15-21)36-20(2)3/h5-17,19-20H,4,18H2,1-3H3,(H,30,33).
What are the key properties of 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide?
5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide has a molecular weight of 483.57 g/mol, XLogP of 5.73, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[ethyl(phenyl)carbamoyl]phenyl]-N-[(4-propan-2-yloxyphenyl)methyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 53122944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).