N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

C25H30N2O4 — CID 86962574

IUPACN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NCC(O)c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C25H30N2O4/c1-25(2,3)19-9-5-17(6-10-19)21(28)15-26-23(29)13-14-24-27-16-22(31-24)18-7-11-20(30-4)12-8-18/h5-12,16,21,28H,13-15H2,1-4H3,(H,26,29)
InChIKeyMWJHYXQZBDMFBN-UHFFFAOYSA-N
MW422.53 g/mol
LogP4.43
Rot. Bonds8

About N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide

N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (PubChem CID 86962574) has the molecular formula C25H30N2O4 and a molecular weight of 422.53 g/mol. Its IUPAC name is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.

Molecular Properties

Compound NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
PubChem CID86962574
Molecular FormulaC25H30N2O4
Molecular Weight422.53 g/mol
Exact Mass422.22
IUPAC NameN-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
SMILESCOc1ccc(-c2cnc(CCC(=O)NCC(O)c3ccc(C(C)(C)C)cc3)o2)cc1
InChIInChI=1S/C25H30N2O4/c1-25(2,3)19-9-5-17(6-10-19)21(28)15-26-23(29)13-14-24-27-16-22(31-24)18-7-11-20(30-4)12-8-18/h5-12,16,21,28H,13-15H2,1-4H3,(H,26,29)
InChIKeyMWJHYXQZBDMFBN-UHFFFAOYSA-N
XLogP4.43
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.53
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-tert-butylphenoxy)-N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]acetamide
CID 55655578
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-3-[5-(3,4-dimethylphenyl)-1,3-oxazol-2-yl]propanamide
CID 43044730
3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]-N-[(2R)-3,3,3-trifluoro-2-hydroxypropyl]propanamide
CID 95787866
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3-(5-phenylfuran-2-yl)propanamide
CID 42959591
3-[5-(4-fluorophenyl)-1,3-oxazol-2-yl]-N-[1-(4-methoxyphenyl)propyl]propanamide
CID 51312428
3-[5-(4-chlorophenyl)-1,3-oxazol-2-yl]-N-[(1R)-1-(4-methoxyphenyl)propyl]propanamide
CID 29467289
3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]-N-[2-(4-methyl-1,3-thiazol-2-yl)ethyl]propanamide
CID 51128497
N-[(2-hydroxycyclopentyl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 111471424
N-[(2-tert-butyloxan-3-yl)methyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide
CID 86971593
N-(2-methoxyethyl)-3-[5-(4-propan-2-ylphenyl)-1,3-oxazol-2-yl]propanamide
CID 108784762
3-[[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]methyl-methylamino]propanoic acid;hydrochloride
CID 119911544
N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-3-[5-(4-methylphenyl)-1,3-oxazol-2-yl]propanamide
CID 119525269

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The IUPAC name of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide (CID 86962574) is N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide.
What is the SMILES notation for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The canonical SMILES for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is COc1ccc(-c2cnc(CCC(=O)NCC(O)c3ccc(C(C)(C)C)cc3)o2)cc1.
What is the InChIKey of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
The InChIKey is MWJHYXQZBDMFBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N2O4/c1-25(2,3)19-9-5-17(6-10-19)21(28)15-26-23(29)13-14-24-27-16-22(31-24)18-7-11-20(30-4)12-8-18/h5-12,16,21,28H,13-15H2,1-4H3,(H,26,29).
What are the key properties of N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide?
N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide has a molecular weight of 422.53 g/mol, XLogP of 4.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-tert-butylphenyl)-2-hydroxyethyl]-3-[5-(4-methoxyphenyl)-1,3-oxazol-2-yl]propanamide is sourced from PubChem (CID 86962574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).