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

C20H18N2O3 — CID 16942503

IUPAC4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1onc2c1CCCC2)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H18N2O3/c23-19(21-20-17-8-4-5-9-18(17)22-25-20)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9H2,(H,21,23)
InChIKeyMNQSIHLKSPLFFU-UHFFFAOYSA-N
MW334.38 g/mol
LogP4.60
Rot. Bonds4

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

4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide (PubChem CID 16942503) has the molecular formula C20H18N2O3 and a molecular weight of 334.38 g/mol. Its IUPAC name is 4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide.

Molecular Properties

Compound Name4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
PubChem CID16942503
Molecular FormulaC20H18N2O3
Molecular Weight334.38 g/mol
Exact Mass334.13
IUPAC Name4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
SMILESO=C(Nc1onc2c1CCCC2)c1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C20H18N2O3/c23-19(21-20-17-8-4-5-9-18(17)22-25-20)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9H2,(H,21,23)
InChIKeyMNQSIHLKSPLFFU-UHFFFAOYSA-N
XLogP4.60
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.38
LogP ≤ 54.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-benzoyl-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942451
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942268
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
2,5-dichloro-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide
CID 16942469
N-[(5S)-5-methyl-4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl]benzamide
CID 41062815
N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)-2-oxochromene-3-carboxamide
CID 16942311
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
N-(4-acetamidophenyl)-4-phenoxybenzamide
CID 16651566
4-[4-(benzamidocarbamoyl)phenoxy]-N'-benzoylbenzohydrazide
CID 21231530
N-(2-fluorophenyl)-4-phenoxybenzamide
CID 7915018
4-[(4-phenoxybenzoyl)amino]benzoate
CID 6953062

Frequently Asked Questions

What is the IUPAC name of 4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The IUPAC name of 4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide (CID 16942503) is 4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide.
What is the SMILES notation for 4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The canonical SMILES for 4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide is O=C(Nc1onc2c1CCCC2)c1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
The InChIKey is MNQSIHLKSPLFFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O3/c23-19(21-20-17-8-4-5-9-18(17)22-25-20)14-10-12-16(13-11-14)24-15-6-2-1-3-7-15/h1-3,6-7,10-13H,4-5,8-9H2,(H,21,23).
What are the key properties of 4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide?
4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide has a molecular weight of 334.38 g/mol, XLogP of 4.60, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenoxy-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)benzamide is sourced from PubChem (CID 16942503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).