5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

C19H26N2O4 — CID 111477679

IUPAC5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)c2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C19H26N2O4/c1-12(2)24-14-8-6-13(7-9-14)16(22)11-20-18(23)15-10-17(25-21-15)19(3,4)5/h6-10,12,16,22H,11H2,1-5H3,(H,20,23)
InChIKeySZFRAQRNBCGQBL-UHFFFAOYSA-N
MW346.43 g/mol
LogP3.22
Rot. Bonds6

About 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide

5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 111477679) has the molecular formula C19H26N2O4 and a molecular weight of 346.43 g/mol. Its IUPAC name is 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
PubChem CID111477679
Molecular FormulaC19H26N2O4
Molecular Weight346.43 g/mol
Exact Mass346.19
IUPAC Name5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
SMILESCC(C)Oc1ccc(C(O)CNC(=O)c2cc(C(C)(C)C)on2)cc1
InChIInChI=1S/C19H26N2O4/c1-12(2)24-14-8-6-13(7-9-14)16(22)11-20-18(23)15-10-17(25-21-15)19(3,4)5/h6-10,12,16,22H,11H2,1-5H3,(H,20,23)
InChIKeySZFRAQRNBCGQBL-UHFFFAOYSA-N
XLogP3.22
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.43
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71917271
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97227840
3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide
CID 99802209
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111422767
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
5-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylbenzamide;hydrochloride
CID 120634228
5-tert-butyl-N-[2-(2-hydroxyethyl)pentyl]-1,2-oxazole-3-carboxamide
CID 111697387
6-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]pyridine-2-carboxylic acid
CID 122053851
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-methylpentanamide;hydrochloride
CID 119792716

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide (CID 111477679) is 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is CC(C)Oc1ccc(C(O)CNC(=O)c2cc(C(C)(C)C)on2)cc1.
What is the InChIKey of 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
The InChIKey is SZFRAQRNBCGQBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O4/c1-12(2)24-14-8-6-13(7-9-14)16(22)11-20-18(23)15-10-17(25-21-15)19(3,4)5/h6-10,12,16,22H,11H2,1-5H3,(H,20,23).
What are the key properties of 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide?
5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 346.43 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 111477679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).