N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

C17H22N2O4 — CID 71917271

IUPACN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCC(O)c2ccc(OC(C)C)cc2)no1
InChIInChI=1S/C17H22N2O4/c1-11(2)22-15-6-4-13(5-7-15)16(20)10-18-17(21)9-14-8-12(3)23-19-14/h4-8,11,16,20H,9-10H2,1-3H3,(H,18,21)
InChIKeyVJWNOECRKDLRNL-UHFFFAOYSA-N
MW318.37 g/mol
LogP2.16
Rot. Bonds7

About N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide

N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (PubChem CID 71917271) has the molecular formula C17H22N2O4 and a molecular weight of 318.37 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
PubChem CID71917271
Molecular FormulaC17H22N2O4
Molecular Weight318.37 g/mol
Exact Mass318.16
IUPAC NameN-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
SMILESCc1cc(CC(=O)NCC(O)c2ccc(OC(C)C)cc2)no1
InChIInChI=1S/C17H22N2O4/c1-11(2)22-15-6-4-13(5-7-15)16(20)10-18-17(21)9-14-8-12(3)23-19-14/h4-8,11,16,20H,9-10H2,1-3H3,(H,18,21)
InChIKeyVJWNOECRKDLRNL-UHFFFAOYSA-N
XLogP2.16
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.37
LogP ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
CID 97227840
N-[(2S)-2-(2,6-dichlorophenyl)-2-hydroxyethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 97069382
2-(3-chlorophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide
CID 111422677
5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 111477679
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 110279895
2-(5-methyl-1,2-oxazol-3-yl)-N-[2-(4-methylphenyl)-2-pyrrolidin-1-ylethyl]acetamide
CID 110622231
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 111422767
N-[2-(4-ethoxyphenyl)-2-morpholin-4-ylethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 110621758
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-[(2R)-2-methylpyrrolidin-1-yl]acetamide
CID 97092465
(2R)-2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 119328695
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]cyclopent-3-ene-1-carboxamide
CID 111450791

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide (CID 71917271) is N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is Cc1cc(CC(=O)NCC(O)c2ccc(OC(C)C)cc2)no1.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
The InChIKey is VJWNOECRKDLRNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4/c1-11(2)22-15-6-4-13(5-7-15)16(20)10-18-17(21)9-14-8-12(3)23-19-14/h4-8,11,16,20H,9-10H2,1-3H3,(H,18,21).
What are the key properties of N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide?
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide has a molecular weight of 318.37 g/mol, XLogP of 2.16, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 71917271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).