N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide

C16H18N2O5 — CID 138013365

IUPACN-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide
SMILESCCOc1ccc2c(c1)C(NC(=O)COc1ccon1)CCO2
InChIInChI=1S/C16H18N2O5/c1-2-20-11-3-4-14-12(9-11)13(5-7-21-14)17-15(19)10-22-16-6-8-23-18-16/h3-4,6,8-9,13H,2,5,7,10H2,1H3,(H,17,19)
InChIKeyHTCPTHHCCUGQNF-UHFFFAOYSA-N
MW318.33 g/mol
LogP2.09
Rot. Bonds6

About N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide

N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide (PubChem CID 138013365) has the molecular formula C16H18N2O5 and a molecular weight of 318.33 g/mol. Its IUPAC name is N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide.

Molecular Properties

Compound NameN-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide
PubChem CID138013365
Molecular FormulaC16H18N2O5
Molecular Weight318.33 g/mol
Exact Mass318.12
IUPAC NameN-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide
SMILESCCOc1ccc2c(c1)C(NC(=O)COc1ccon1)CCO2
InChIInChI=1S/C16H18N2O5/c1-2-20-11-3-4-14-12(9-11)13(5-7-21-14)17-15(19)10-22-16-6-8-23-18-16/h3-4,6,8-9,13H,2,5,7,10H2,1H3,(H,17,19)
InChIKeyHTCPTHHCCUGQNF-UHFFFAOYSA-N
XLogP2.09
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.33
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3,4-dichlorophenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 46828800
2-methoxy-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479192
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-4-(5-ethyl-1H-1,2,4-triazol-3-yl)benzamide
CID 126784613
6-ethoxy-4-(sulfamoylamino)-3,4-dihydro-2H-chromene
CID 126793066
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-ethyl-6-oxo-1H-pyrimidine-5-carboxamide
CID 138013320
N-(3,4-dihydro-2H-chromen-4-yl)-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 18193059
1-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-3-[(1,3,5-trimethylpyrazol-4-yl)methyl]urea
CID 126780314
2-(3-acetylphenoxy)-N-(3,4-dihydro-2H-chromen-4-yl)acetamide
CID 17448836
3-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-1-methyl-1-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 146127534
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-2-(3-methyl-4-nitrophenoxy)acetamide
CID 35338499
2-(dimethylamino)-N-(7-methoxy-2,3,4,5-tetrahydro-1-benzoxepin-5-yl)acetamide
CID 110479797
N-ethyl-2-[(6-methoxy-3,4-dihydro-2H-chromen-4-yl)amino]-N-methylacetamide
CID 104926727

Frequently Asked Questions

What is the IUPAC name of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide?
The IUPAC name of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide (CID 138013365) is N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide.
What is the SMILES notation for N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide?
The canonical SMILES for N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide is CCOc1ccc2c(c1)C(NC(=O)COc1ccon1)CCO2.
What is the InChIKey of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide?
The InChIKey is HTCPTHHCCUGQNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O5/c1-2-20-11-3-4-14-12(9-11)13(5-7-21-14)17-15(19)10-22-16-6-8-23-18-16/h3-4,6,8-9,13H,2,5,7,10H2,1H3,(H,17,19).
What are the key properties of N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide?
N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide has a molecular weight of 318.33 g/mol, XLogP of 2.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-ethoxy-3,4-dihydro-2H-chromen-4-yl)-2-(1,2-oxazol-3-yloxy)acetamide is sourced from PubChem (CID 138013365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).