N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

C19H18N2O4 — CID 71782160

IUPACN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCC1(O)CCc2ccccc21
InChIInChI=1S/C19H18N2O4/c22-17(11-21-15-7-3-4-8-16(15)25-18(21)23)20-12-19(24)10-9-13-5-1-2-6-14(13)19/h1-8,24H,9-12H2,(H,20,22)
InChIKeyOCZGJIOKORNUEA-UHFFFAOYSA-N
MW338.36 g/mol
LogP1.54
Rot. Bonds4

About N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide

N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (PubChem CID 71782160) has the molecular formula C19H18N2O4 and a molecular weight of 338.36 g/mol. Its IUPAC name is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.

Molecular Properties

Compound NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
PubChem CID71782160
Molecular FormulaC19H18N2O4
Molecular Weight338.36 g/mol
Exact Mass338.13
IUPAC NameN-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
SMILESO=C(Cn1c(=O)oc2ccccc21)NCC1(O)CCc2ccccc21
InChIInChI=1S/C19H18N2O4/c22-17(11-21-15-7-3-4-8-16(15)25-18(21)23)20-12-19(24)10-9-13-5-1-2-6-14(13)19/h1-8,24H,9-12H2,(H,20,22)
InChIKeyOCZGJIOKORNUEA-UHFFFAOYSA-N
XLogP1.54
TPSA84.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.36
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide with MolForge

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Related Compounds

N-[(4-methoxy-1-methylsulfonylpiperidin-4-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 154576685
N-(3,4-dihydro-2H-chromen-3-ylmethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 72897387
N-butyl-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 4808042
N-(2-methoxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3580508
N-(2-ethylbutyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 115612682
1-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]cyclohexane-1-carboxamide
CID 86992273
N-(2-cyclohexyl-2-hydroxyethyl)-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 90498809
2-methyl-3-[[2-(2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanoic acid
CID 62676565
N-[(4-chlorophenyl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 3346299
N-[(2R)-2-cyclopropyl-2-hydroxypropyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 52907105
N-[(2S)-2-cyclopropyl-2-hydroxy-2-phenylethyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide
CID 95379441
2-(2-oxo-1,3-benzoxazol-3-yl)-N-propan-2-ylacetamide
CID 4051540

Frequently Asked Questions

What is the IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The IUPAC name of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide (CID 71782160) is N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide.
What is the SMILES notation for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The canonical SMILES for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is O=C(Cn1c(=O)oc2ccccc21)NCC1(O)CCc2ccccc21.
What is the InChIKey of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
The InChIKey is OCZGJIOKORNUEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O4/c22-17(11-21-15-7-3-4-8-16(15)25-18(21)23)20-12-19(24)10-9-13-5-1-2-6-14(13)19/h1-8,24H,9-12H2,(H,20,22).
What are the key properties of N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide?
N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide has a molecular weight of 338.36 g/mol, XLogP of 1.54, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hydroxy-2,3-dihydroinden-1-yl)methyl]-2-(2-oxo-1,3-benzoxazol-3-yl)acetamide is sourced from PubChem (CID 71782160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).