4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

C21H18N2O3 — CID 16942451

IUPAC4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1onc2c1CCCC2)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)20(25)22-21-17-8-4-5-9-18(17)23-26-21/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,25)
InChIKeyZZMPJGZLDMHFRC-UHFFFAOYSA-N
MW346.39 g/mol
LogP4.04
Rot. Bonds4

About 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide

4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide (PubChem CID 16942451) has the molecular formula C21H18N2O3 and a molecular weight of 346.39 g/mol. Its IUPAC name is 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
PubChem CID16942451
Molecular FormulaC21H18N2O3
Molecular Weight346.39 g/mol
Exact Mass346.13
IUPAC Name4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1onc2c1CCCC2)c1ccc(C(=O)c2ccccc2)cc1
InChIInChI=1S/C21H18N2O3/c24-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)20(25)22-21-17-8-4-5-9-18(17)23-26-21/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,25)
InChIKeyZZMPJGZLDMHFRC-UHFFFAOYSA-N
XLogP4.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.39
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942268
4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942503
4-benzyl-N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942332
4-nitro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942441
phenyl(5,6,7,8-tetrahydro-4H-cyclohepta[c][1,2]oxazol-3-yl)methanone
CID 134984735
N-[(5R)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 41062814
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 41062815
2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942469
1-benzyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
CID 121067050
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide
CID 16942311
1-ethyl-6-oxo-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)pyridazine-3-carboxamide
CID 121066938
N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)-2-(thiolan-3-yloxy)pyridine-4-carboxamide
CID 91815579

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The IUPAC name of 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide (CID 16942451) is 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide.
What is the SMILES notation for 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The canonical SMILES for 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide is O=C(Nc1onc2c1CCCC2)c1ccc(C(=O)c2ccccc2)cc1.
What is the InChIKey of 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The InChIKey is ZZMPJGZLDMHFRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3/c24-19(14-6-2-1-3-7-14)15-10-12-16(13-11-15)20(25)22-21-17-8-4-5-9-18(17)23-26-21/h1-3,6-7,10-13H,4-5,8-9H2,(H,22,25).
What are the key properties of 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide has a molecular weight of 346.39 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 16942451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).