N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide

C17H22N2O3 — CID 166191461

IUPACN-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide
SMILESCc1nc(CCNC(=O)c2cc(C(C)C)ccc2O)c(C)o1
InChIInChI=1S/C17H22N2O3/c1-10(2)13-5-6-16(20)14(9-13)17(21)18-8-7-15-11(3)22-12(4)19-15/h5-6,9-10,20H,7-8H2,1-4H3,(H,18,21)
InChIKeySUFKJRLVAWCQMP-UHFFFAOYSA-N
MW302.37 g/mol
LogP3.09
Rot. Bonds5

About N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide

N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide (PubChem CID 166191461) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide.

Molecular Properties

Compound NameN-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide
PubChem CID166191461
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC NameN-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide
SMILESCc1nc(CCNC(=O)c2cc(C(C)C)ccc2O)c(C)o1
InChIInChI=1S/C17H22N2O3/c1-10(2)13-5-6-16(20)14(9-13)17(21)18-8-7-15-11(3)22-12(4)19-15/h5-6,9-10,20H,7-8H2,1-4H3,(H,18,21)
InChIKeySUFKJRLVAWCQMP-UHFFFAOYSA-N
XLogP3.09
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-cyclopropyl-4-methyl-oxazol-5-yl)-N-(4-hydroxycyclohexyl)-2-methoxy-benzamide
CID 118708291
US10435398, Example 15
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(6aR,11aS)-2-hydroxy-N,7,7,9,11a-pentamethyl-5,6,6a,11-tetrahydronaphtho[1,2-f][1,3]benzoxazole-3-carboxamide
CID 137631647
N-[2-(4-hydroxy-3,5-dimethylphenyl)ethyl]-4-methyl-2-propan-2-yl-1,3-oxazole-5-carboxamide
CID 137976128
2-[2-[2-[4-(1,1-difluoroethyl)phenyl]-5-methyl-1,3-oxazol-4-yl]ethyl-[(4-hydroxy-3,5-dimethylphenyl)methyl]amino]-N-methylacetamide
CID 143430403
2-[5-(2-Aminoethyl)-4-methyl-1,3-oxazol-2-yl]phenol
CID 136302955
N-[(3-fluoro-4-hydroxyphenyl)methyl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)acetamide
CID 56794144
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-methoxybenzamide
CID 87043600
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-fluoro-2-hydroxybenzamide
CID 103739133
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-fluoro-2-hydroxybenzamide
CID 103829845
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-4-hydroxybenzamide
CID 103941292
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-6-hydroxybenzamide
CID 104917102

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide?
The IUPAC name of N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide (CID 166191461) is N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide.
What is the SMILES notation for N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide?
The canonical SMILES for N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide is Cc1nc(CCNC(=O)c2cc(C(C)C)ccc2O)c(C)o1.
What is the InChIKey of N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide?
The InChIKey is SUFKJRLVAWCQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-10(2)13-5-6-16(20)14(9-13)17(21)18-8-7-15-11(3)22-12(4)19-15/h5-6,9-10,20H,7-8H2,1-4H3,(H,18,21).
What are the key properties of N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide?
N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide has a molecular weight of 302.37 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-dimethyl-1,3-oxazol-4-yl)ethyl]-2-hydroxy-5-propan-2-ylbenzamide is sourced from PubChem (CID 166191461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).