N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide

C18H18N2O4 — CID 166190370

IUPACN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H18N2O4/c1-11(2)23-15-6-4-3-5-12(15)9-17(21)19-13-7-8-16-14(10-13)20-18(22)24-16/h3-8,10-11H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAOSNFIBWIBRJBU-UHFFFAOYSA-N
MW326.35 g/mol
LogP3.09
Rot. Bonds5

About N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide

N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide (PubChem CID 166190370) has the molecular formula C18H18N2O4 and a molecular weight of 326.35 g/mol. Its IUPAC name is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide.

Molecular Properties

Compound NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide
PubChem CID166190370
Molecular FormulaC18H18N2O4
Molecular Weight326.35 g/mol
Exact Mass326.13
IUPAC NameN-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide
SMILESCC(C)Oc1ccccc1CC(=O)Nc1ccc2oc(=O)[nH]c2c1
InChIInChI=1S/C18H18N2O4/c1-11(2)23-15-6-4-3-5-12(15)9-17(21)19-13-7-8-16-14(10-13)20-18(22)24-16/h3-8,10-11H,9H2,1-2H3,(H,19,21)(H,20,22)
InChIKeyAOSNFIBWIBRJBU-UHFFFAOYSA-N
XLogP3.09
TPSA84.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.35
LogP ≤ 53.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-oxo-3H-1,3-benzoxazol-5-yl)propanamide
CID 78972326
2-(difluoromethoxy)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)benzamide
CID 38468167
3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-[(2-phenylacetyl)amino]butanamide
CID 134019800
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)pentanamide
CID 43710375
(2R)-N-(2-ethoxyphenyl)-2-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]propanamide
CID 95570799
methyl 4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoate
CID 47157162
2-(2,4-dichlorophenyl)-N-(2-oxo-3H-1,3-benzoxazol-5-yl)acetamide
CID 37091055
2-amino-3-methyl-N-(2-oxo-3H-1,3-benzoxazol-5-yl)butanamide
CID 43710360
3-(2-oxo-3H-1,3-benzoxazol-5-yl)-N-(4-propan-2-yloxyphenyl)propanamide
CID 110390495
3-acetamido-N-(2-oxo-3H-1,3-benzoxazol-5-yl)-3-phenylpropanamide
CID 134019701
4-oxo-4-[(2-oxo-3H-1,3-benzoxazol-5-yl)amino]butanoic acid
CID 12925401
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-phenoxybenzamide
CID 38466452

Frequently Asked Questions

What is the IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide?
The IUPAC name of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide (CID 166190370) is N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide.
What is the SMILES notation for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide?
The canonical SMILES for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide is CC(C)Oc1ccccc1CC(=O)Nc1ccc2oc(=O)[nH]c2c1.
What is the InChIKey of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide?
The InChIKey is AOSNFIBWIBRJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O4/c1-11(2)23-15-6-4-3-5-12(15)9-17(21)19-13-7-8-16-14(10-13)20-18(22)24-16/h3-8,10-11H,9H2,1-2H3,(H,19,21)(H,20,22).
What are the key properties of N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide?
N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide has a molecular weight of 326.35 g/mol, XLogP of 3.09, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-oxo-3H-1,3-benzoxazol-5-yl)-2-(2-propan-2-yloxyphenyl)acetamide is sourced from PubChem (CID 166190370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).