N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide

C27H33N3O4 — CID 23857003

IUPACN-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(CN(CC(C)C)C(=O)CCc3ccccc3)on2)cc1
InChIInChI=1S/C27H33N3O4/c1-20(2)18-30(26(31)14-11-21-7-5-4-6-8-21)19-24-17-25(29-34-24)27(32)28-16-15-22-9-12-23(33-3)13-10-22/h4-10,12-13,17,20H,11,14-16,18-19H2,1-3H3,(H,28,32)
InChIKeyHAHJAKVMCZCLPM-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.27
Rot. Bonds12

About N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide

N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide (PubChem CID 23857003) has the molecular formula C27H33N3O4 and a molecular weight of 463.58 g/mol. Its IUPAC name is N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
PubChem CID23857003
Molecular FormulaC27H33N3O4
Molecular Weight463.58 g/mol
Exact Mass463.25
IUPAC NameN-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
SMILESCOc1ccc(CCNC(=O)c2cc(CN(CC(C)C)C(=O)CCc3ccccc3)on2)cc1
InChIInChI=1S/C27H33N3O4/c1-20(2)18-30(26(31)14-11-21-7-5-4-6-8-21)19-24-17-25(29-34-24)27(32)28-16-15-22-9-12-23(33-3)13-10-22/h4-10,12-13,17,20H,11,14-16,18-19H2,1-3H3,(H,28,32)
InChIKeyHAHJAKVMCZCLPM-UHFFFAOYSA-N
XLogP4.27
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[[butan-2-yl(3-phenylpropanoyl)amino]methyl]-N-[(4-methoxyphenyl)methyl]-1,2-oxazole-3-carboxamide
CID 23936297
5-[[cyclopropanecarbonyl(pentan-3-yl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23741978
N-[2-(4-methoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213632
N-[(4-fluorophenyl)methyl]-5-[[2-(4-methoxyphenyl)ethyl-(3-methylbutyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23989425
5-[[cyclohexanecarbonyl(cyclopropyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23761703
5-[[cyclopentyl-(3-methoxybenzoyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23933174
5-[[(2,4-dichlorobenzoyl)-(thiophen-2-ylmethyl)amino]methyl]-N-[2-(4-methoxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 23798375
N-(cyclopropylmethyl)-5-[[pentan-3-yl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide
CID 23965951
N-[2-(4-methoxyphenyl)ethyl]-5-(4-propan-2-yloxyphenyl)-1,2-oxazole-3-carboxamide
CID 52904543
5-[[3-cyclopentylpropanoyl(2-phenylethyl)amino]methyl]-N-(2-methylpropyl)-1,2-oxazole-3-carboxamide
CID 23738652
N-[(4-fluorophenyl)methyl]-5-[[(3-methoxybenzoyl)-[2-(4-methoxyphenyl)ethyl]amino]methyl]-1,2-oxazole-3-carboxamide
CID 23818982
N-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(4-methoxyphenyl)methyl-(3-phenylpropanoyl)amino]propanamide
CID 133213633

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide (CID 23857003) is N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide is COc1ccc(CCNC(=O)c2cc(CN(CC(C)C)C(=O)CCc3ccccc3)on2)cc1.
What is the InChIKey of N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
The InChIKey is HAHJAKVMCZCLPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H33N3O4/c1-20(2)18-30(26(31)14-11-21-7-5-4-6-8-21)19-24-17-25(29-34-24)27(32)28-16-15-22-9-12-23(33-3)13-10-22/h4-10,12-13,17,20H,11,14-16,18-19H2,1-3H3,(H,28,32).
What are the key properties of N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide?
N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide has a molecular weight of 463.58 g/mol, XLogP of 4.27, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxyphenyl)ethyl]-5-[[2-methylpropyl(3-phenylpropanoyl)amino]methyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 23857003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).