3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide

C18H22N2O4 — CID 110002452

IUPAC3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1
InChIInChI=1S/C18H22N2O4/c1-3-18(2,7-8-21)19-17(22)16-11-14(20-24-16)12-4-5-15-13(10-12)6-9-23-15/h4-5,10-11,21H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyRBIHBDIVTTYTQI-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.56
Rot. Bonds6

About 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide

3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide (PubChem CID 110002452) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
PubChem CID110002452
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
SMILESCCC(C)(CCO)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1
InChIInChI=1S/C18H22N2O4/c1-3-18(2,7-8-21)19-17(22)16-11-14(20-24-16)12-4-5-15-13(10-12)6-9-23-15/h4-5,10-11,21H,3,6-9H2,1-2H3,(H,19,22)
InChIKeyRBIHBDIVTTYTQI-UHFFFAOYSA-N
XLogP2.56
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(1-hydroxy-3-methylpentan-3-yl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 103946095
3-(2,3-dihydro-1-benzofuran-5-yl)-N-ethyl-N-(2-hydroxyethyl)-1,2-oxazole-5-carboxamide
CID 109468197
3-butan-2-yl-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide
CID 110002337
6-(2,3-dihydro-1-benzofuran-5-yl)-N-ethylpyridazin-3-amine
CID 104544803
(E)-3-(2,3-dihydro-1-benzofuran-5-yl)-N-(4-hydroxy-2-methylbutan-2-yl)prop-2-enamide
CID 115870213
2-amino-N-[4-(2,3-dihydro-1-benzofuran-5-yl)-1,3-thiazol-2-yl]-2-methylpentanamide
CID 119699067
2-[[2-(2,3-dihydro-1-benzofuran-5-yl)acetyl]amino]-2-methylbutanoic acid
CID 119199119
ethyl 5-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazole-3-carboxylate
CID 63379362
2-(2,3-dihydro-1-benzofuran-5-carbonylamino)-2-methylpropanoic acid
CID 61261538
N-(3-amino-2,2-dimethylpropyl)-2,3-dihydro-1-benzofuran-5-carboxamide
CID 113295192
N-(1-amino-2-methylpropan-2-yl)-3-(4-methylphenyl)-1,2-oxazole-5-carboxamide;hydrochloride
CID 119522065
N-[2-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2-oxazol-5-yl]-1,2,4-oxadiazol-3-yl]propan-2-yl]methanesulfonamide
CID 166214660

Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide?
The IUPAC name of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide (CID 110002452) is 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide.
What is the SMILES notation for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide?
The canonical SMILES for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide is CCC(C)(CCO)NC(=O)c1cc(-c2ccc3c(c2)CCO3)no1.
What is the InChIKey of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide?
The InChIKey is RBIHBDIVTTYTQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-3-18(2,7-8-21)19-17(22)16-11-14(20-24-16)12-4-5-15-13(10-12)6-9-23-15/h4-5,10-11,21H,3,6-9H2,1-2H3,(H,19,22).
What are the key properties of 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide?
3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dihydro-1-benzofuran-5-yl)-N-(1-hydroxy-3-methylpentan-3-yl)-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 110002452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).