N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

C16H20N2O3 — CID 110279895

IUPACN-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C16H20N2O3/c1-10(2)12-4-6-13(7-5-12)15(19)9-17-16(20)14-8-11(3)21-18-14/h4-8,10,15,19H,9H2,1-3H3,(H,17,20)
InChIKeyLFNUQCGWHHGOEW-UHFFFAOYSA-N
MW288.35 g/mol
LogP2.57
Rot. Bonds5

About N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide

N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (PubChem CID 110279895) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
PubChem CID110279895
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC NameN-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
SMILESCc1cc(C(=O)NCC(O)c2ccc(C(C)C)cc2)no1
InChIInChI=1S/C16H20N2O3/c1-10(2)12-4-6-13(7-5-12)15(19)9-17-16(20)14-8-11(3)21-18-14/h4-8,10,15,19H,9H2,1-3H3,(H,17,20)
InChIKeyLFNUQCGWHHGOEW-UHFFFAOYSA-N
XLogP2.57
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-amino-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119526650
N-[(2S)-2-(3,4-dimethoxyphenyl)-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 99780009
N-[(2R)-2-hydroxypropyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 83030687
N-[2-[4-(furan-2-yl)phenyl]-2-hydroxyethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 126850888
5-methyl-N-[(2S)-2-methyl-3-(methylamino)propyl]-1,2-oxazole-3-carboxamide
CID 97325190
5-tert-butyl-N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-1,2-oxazole-3-carboxamide
CID 111477679
N-(2-chloro-2-phenylethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 113271445
N-[(2R)-2-(ethylamino)propyl]-5-methyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 120654528
N-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-2-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 71917271
5-methyl-N-(3-methyl-2-oxobutyl)-1,2-oxazole-3-carboxamide
CID 59224444
methyl 2-bromo-3-[(5-methyl-1,2-oxazole-3-carbonyl)amino]propanoate
CID 103492671
N-(2-cyclohexyl-2-hydroxyethyl)-5-methyl-1,2-oxazole-3-carboxamide
CID 90498743

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide (CID 110279895) is N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)NCC(O)c2ccc(C(C)C)cc2)no1.
What is the InChIKey of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is LFNUQCGWHHGOEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O3/c1-10(2)12-4-6-13(7-5-12)15(19)9-17-16(20)14-8-11(3)21-18-14/h4-8,10,15,19H,9H2,1-3H3,(H,17,20).
What are the key properties of N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide?
N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 288.35 g/mol, XLogP of 2.57, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-2-(4-propan-2-ylphenyl)ethyl]-5-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 110279895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).