2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide

C16H22N2O3 — CID 135973039

IUPAC2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CC1CC(c2ccc(O)cc2)=NO1
InChIInChI=1S/C16H22N2O3/c1-11(2)10-18(3)16(20)9-14-8-15(17-21-14)12-4-6-13(19)7-5-12/h4-7,11,14,19H,8-10H2,1-3H3
InChIKeyNDRLSULUPONEIQ-UHFFFAOYSA-N
MW290.36 g/mol
LogP2.39
Rot. Bonds5

About 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide

2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide (PubChem CID 135973039) has the molecular formula C16H22N2O3 and a molecular weight of 290.36 g/mol. Its IUPAC name is 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide.

Molecular Properties

Compound Name2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
PubChem CID135973039
Molecular FormulaC16H22N2O3
Molecular Weight290.36 g/mol
Exact Mass290.16
IUPAC Name2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide
SMILESCC(C)CN(C)C(=O)CC1CC(c2ccc(O)cc2)=NO1
InChIInChI=1S/C16H22N2O3/c1-11(2)10-18(3)16(20)9-14-8-15(17-21-14)12-4-6-13(19)7-5-12/h4-7,11,14,19H,8-10H2,1-3H3
InChIKeyNDRLSULUPONEIQ-UHFFFAOYSA-N
XLogP2.39
TPSA62.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.36
LogP ≤ 52.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide?
The IUPAC name of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide (CID 135973039) is 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide.
What is the SMILES notation for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide?
The canonical SMILES for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide is CC(C)CN(C)C(=O)CC1CC(c2ccc(O)cc2)=NO1.
What is the InChIKey of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide?
The InChIKey is NDRLSULUPONEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N2O3/c1-11(2)10-18(3)16(20)9-14-8-15(17-21-14)12-4-6-13(19)7-5-12/h4-7,11,14,19H,8-10H2,1-3H3.
What are the key properties of 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide?
2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide has a molecular weight of 290.36 g/mol, XLogP of 2.39, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-hydroxyphenyl)-4,5-dihydro-1,2-oxazol-5-yl]-N-methyl-N-(2-methylpropyl)acetamide is sourced from PubChem (CID 135973039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).