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

C16H20N2O4 — CID 97227840

IUPACN-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)Oc1ccc([C@@H](O)CNC(=O)Cc2ccon2)cc1
InChIInChI=1S/C16H20N2O4/c1-11(2)22-14-5-3-12(4-6-14)15(19)10-17-16(20)9-13-7-8-21-18-13/h3-8,11,15,19H,9-10H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyIBCBPECJWMVCED-HNNXBMFYSA-N
MW304.35 g/mol
LogP1.85
Rot. Bonds7

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

N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide (PubChem CID 97227840) has the molecular formula C16H20N2O4 and a molecular weight of 304.35 g/mol. Its IUPAC name is N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
PubChem CID97227840
Molecular FormulaC16H20N2O4
Molecular Weight304.35 g/mol
Exact Mass304.14
IUPAC NameN-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide
SMILESCC(C)Oc1ccc([C@@H](O)CNC(=O)Cc2ccon2)cc1
InChIInChI=1S/C16H20N2O4/c1-11(2)22-14-5-3-12(4-6-14)15(19)10-17-16(20)9-13-7-8-21-18-13/h3-8,11,15,19H,9-10H2,1-2H3,(H,17,20)/t15-/m0/s1
InChIKeyIBCBPECJWMVCED-HNNXBMFYSA-N
XLogP1.85
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 51.85
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
2-amino-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]acetamide;hydrochloride
CID 119328681
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
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
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 111422693
3-(2-aminophenyl)-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]propanamide;hydrochloride
CID 120610983
2-[[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]amino]acetic acid
CID 82314145
3-bromo-N-[(2S)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]pyridine-2-carboxamide
CID 99802209
N-(3-hydroxy-2,2,4-trimethylpentyl)-2-(1,2-oxazol-3-yl)acetamide
CID 109380934
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-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide?
The IUPAC name of N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide (CID 97227840) is N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide.
What is the SMILES notation for N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide?
The canonical SMILES for N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide is CC(C)Oc1ccc([C@@H](O)CNC(=O)Cc2ccon2)cc1.
What is the InChIKey of N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide?
The InChIKey is IBCBPECJWMVCED-HNNXBMFYSA-N. The full InChI is InChI=1S/C16H20N2O4/c1-11(2)22-14-5-3-12(4-6-14)15(19)10-17-16(20)9-13-7-8-21-18-13/h3-8,11,15,19H,9-10H2,1-2H3,(H,17,20)/t15-/m0/s1.
What are the key properties of N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide?
N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide has a molecular weight of 304.35 g/mol, XLogP of 1.85, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(1,2-oxazol-3-yl)acetamide is sourced from PubChem (CID 97227840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).