N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide

C22H18N2O3 — CID 46424456

IUPACN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C22H18N2O3/c25-21(13-26-18-9-7-14-3-1-2-4-16(14)11-18)23-17-8-10-20-19(12-17)24-22(27-20)15-5-6-15/h1-4,7-12,15H,5-6,13H2,(H,23,25)
InChIKeyXBSUEQMVKAEIEU-UHFFFAOYSA-N
MW358.40 g/mol
LogP4.88
Rot. Bonds5

About N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide

N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide (PubChem CID 46424456) has the molecular formula C22H18N2O3 and a molecular weight of 358.40 g/mol. Its IUPAC name is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide.

Molecular Properties

Compound NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide
PubChem CID46424456
Molecular FormulaC22H18N2O3
Molecular Weight358.40 g/mol
Exact Mass358.13
IUPAC NameN-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide
SMILESO=C(COc1ccc2ccccc2c1)Nc1ccc2oc(C3CC3)nc2c1
InChIInChI=1S/C22H18N2O3/c25-21(13-26-18-9-7-14-3-1-2-4-16(14)11-18)23-17-8-10-20-19(12-17)24-22(27-20)15-5-6-15/h1-4,7-12,15H,5-6,13H2,(H,23,25)
InChIKeyXBSUEQMVKAEIEU-UHFFFAOYSA-N
XLogP4.88
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-methylphenyl)-1,3-benzoxazol-5-yl]-2-naphthalen-2-yloxyacetamide
CID 2281677
N-naphthalen-2-yl-2-naphthalen-2-yloxyacetamide
CID 879369
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(cyclopropylmethylamino)acetamide
CID 60865852
1-[4-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-naphthalen-2-yloxyethanone
CID 21008002
2-naphthalen-2-yloxy-N-pyridin-4-ylacetamide
CID 823638
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-phenoxypropanamide
CID 86930482
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-3-(2-methylpropoxy)benzamide
CID 46424527
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-enylamino)acetamide
CID 79285004
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-(prop-2-ynylamino)acetamide
CID 79287727
2-(6-bromonaphthalen-2-yl)oxy-N-naphthalen-2-ylacetamide
CID 7786811
2-(4-cyclohexylphenoxy)-N-naphthalen-2-ylacetamide
CID 21234083
1-cyclooctyl-3-(2-cyclopropyl-1,3-benzoxazol-5-yl)urea
CID 71895854

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide?
The IUPAC name of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide (CID 46424456) is N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide.
What is the SMILES notation for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide?
The canonical SMILES for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide is O=C(COc1ccc2ccccc2c1)Nc1ccc2oc(C3CC3)nc2c1.
What is the InChIKey of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide?
The InChIKey is XBSUEQMVKAEIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N2O3/c25-21(13-26-18-9-7-14-3-1-2-4-16(14)11-18)23-17-8-10-20-19(12-17)24-22(27-20)15-5-6-15/h1-4,7-12,15H,5-6,13H2,(H,23,25).
What are the key properties of N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide?
N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide has a molecular weight of 358.40 g/mol, XLogP of 4.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopropyl-1,3-benzoxazol-5-yl)-2-naphthalen-2-yloxyacetamide is sourced from PubChem (CID 46424456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).