N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide

C17H22N2O5 — CID 91835467

IUPACN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
SMILESCOc1ccc2oc(CNC(=O)COCC3CCCCO3)nc2c1
InChIInChI=1S/C17H22N2O5/c1-21-12-5-6-15-14(8-12)19-17(24-15)9-18-16(20)11-22-10-13-4-2-3-7-23-13/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,18,20)
InChIKeyDOYLPLYCIMZBTM-UHFFFAOYSA-N
MW334.37 g/mol
LogP2.04
Rot. Bonds7

About N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 91835467) has the molecular formula C17H22N2O5 and a molecular weight of 334.37 g/mol. Its IUPAC name is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
PubChem CID91835467
Molecular FormulaC17H22N2O5
Molecular Weight334.37 g/mol
Exact Mass334.15
IUPAC NameN-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
SMILESCOc1ccc2oc(CNC(=O)COCC3CCCCO3)nc2c1
InChIInChI=1S/C17H22N2O5/c1-21-12-5-6-15-14(8-12)19-17(24-15)9-18-16(20)11-22-10-13-4-2-3-7-23-13/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,18,20)
InChIKeyDOYLPLYCIMZBTM-UHFFFAOYSA-N
XLogP2.04
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.37
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-[[(2S)-oxan-2-yl]methoxy]acetamide
CID 124843358
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 124753443
N-[(5-methoxy-1H-indol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide
CID 91829682
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(4,5,6,7-tetrahydro-1H-indazol-3-yl)propanamide
CID 91841825
(5R)-N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-5-methyl-4,5,6,7-tetrahydro-1H-indazole-3-carboxamide
CID 124757282
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-[(2S)-2-methylpiperidin-1-yl]azetidine-1-carboxamide
CID 125445358
N-[(4-chloro-2-methoxyphenyl)methyl]-2-[[(2S)-oxolan-2-yl]methoxy]acetamide
CID 95616406
3-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-1-methyl-1-(4,5,6,7-tetrahydro-1H-indazol-3-ylmethyl)urea
CID 122558422
2-[[(2S)-oxan-2-yl]methoxy]-N-(thiophen-3-ylmethyl)acetamide
CID 124854548
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-3-(2-methylpropyl)-1,2-oxazole-5-carboxamide
CID 70753555
N-(6,7-dihydro-5H-cyclopenta[b]pyridin-3-ylmethyl)-2-[[(2R)-oxan-2-yl]methoxy]acetamide
CID 125170928
N-(3,4-dihydro-2H-chromen-6-ylmethyl)-2-(oxan-2-ylmethoxy)acetamide
CID 91775341

Frequently Asked Questions

What is the IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide (CID 91835467) is N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide is COc1ccc2oc(CNC(=O)COCC3CCCCO3)nc2c1.
What is the InChIKey of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is DOYLPLYCIMZBTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O5/c1-21-12-5-6-15-14(8-12)19-17(24-15)9-18-16(20)11-22-10-13-4-2-3-7-23-13/h5-6,8,13H,2-4,7,9-11H2,1H3,(H,18,20).
What are the key properties of N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide?
N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 334.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-methoxy-1,3-benzoxazol-2-yl)methyl]-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 91835467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).