(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide

C17H20N2O4 — CID 41010172

IUPAC(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide
SMILESCOc1ccccc1O[C@H](C)C(=O)Nc1onc2c1CCCC2
InChIInChI=1S/C17H20N2O4/c1-11(22-15-10-6-5-9-14(15)21-2)16(20)18-17-12-7-3-4-8-13(12)19-23-17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyFDDAJLDJKJHEOT-LLVKDONJSA-N
MW316.36 g/mol
LogP2.97
Rot. Bonds5

About (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide

(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide (PubChem CID 41010172) has the molecular formula C17H20N2O4 and a molecular weight of 316.36 g/mol. Its IUPAC name is (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide.

Molecular Properties

Compound Name(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide
PubChem CID41010172
Molecular FormulaC17H20N2O4
Molecular Weight316.36 g/mol
Exact Mass316.14
IUPAC Name(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide
SMILESCOc1ccccc1O[C@H](C)C(=O)Nc1onc2c1CCCC2
InChIInChI=1S/C17H20N2O4/c1-11(22-15-10-6-5-9-14(15)21-2)16(20)18-17-12-7-3-4-8-13(12)19-23-17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,20)/t11-/m1/s1
InChIKeyFDDAJLDJKJHEOT-LLVKDONJSA-N
XLogP2.97
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(2-fluorophenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)butanamide
CID 42280140
(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-1,3-benzothiazol-2-yl)propanamide
CID 42278896
N-(4-acetamidophenyl)-2-(2-methoxyphenoxy)propanamide
CID 2907980
N-[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]-2-methylpropanamide
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N-(5,6-dihydro-4H-cyclopenta[c][1,2]oxazol-3-yl)benzamide
CID 16942268
(2R)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866676
(2S)-2-(2-methoxyphenoxy)-N-[2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]propanamide
CID 39866674
methyl 4-[[(2S)-2-(2-methoxyphenoxy)propanoyl]amino]benzoate
CID 886076
4-[2-(2-methoxyphenoxy)propanoylamino]benzamide
CID 4943131
2-(2-methoxyphenoxy)-N-[4-[[4-[2-(2-methoxyphenoxy)propanoylamino]phenyl]methyl]phenyl]propanamide
CID 4943540
(2S)-N-cyclopentyl-2-(2-methoxyphenoxy)propanamide
CID 42082135
(2R)-2-(2-methoxyphenoxy)-N-(3-phenyl-1,2,4-thiadiazol-5-yl)propanamide
CID 35041836

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide?
The IUPAC name of (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide (CID 41010172) is (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide.
What is the SMILES notation for (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide?
The canonical SMILES for (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide is COc1ccccc1O[C@H](C)C(=O)Nc1onc2c1CCCC2.
What is the InChIKey of (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide?
The InChIKey is FDDAJLDJKJHEOT-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N2O4/c1-11(22-15-10-6-5-9-14(15)21-2)16(20)18-17-12-7-3-4-8-13(12)19-23-17/h5-6,9-11H,3-4,7-8H2,1-2H3,(H,18,20)/t11-/m1/s1.
What are the key properties of (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide?
(2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide has a molecular weight of 316.36 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(2-methoxyphenoxy)-N-(4,5,6,7-tetrahydro-2,1-benzoxazol-3-yl)propanamide is sourced from PubChem (CID 41010172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).