N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

C21H20N2O5 — CID 56720229

IUPACN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc2c1OCC(NC(=O)c1coc(COc3ccccc3)n1)C2
InChIInChI=1S/C21H20N2O5/c1-25-18-9-5-6-14-10-15(11-28-20(14)18)22-21(24)17-12-27-19(23-17)13-26-16-7-3-2-4-8-16/h2-9,12,15H,10-11,13H2,1H3,(H,22,24)
InChIKeyRVLRMYSACSBTPE-UHFFFAOYSA-N
MW380.40 g/mol
LogP3.00
Rot. Bonds6

About N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide (PubChem CID 56720229) has the molecular formula C21H20N2O5 and a molecular weight of 380.40 g/mol. Its IUPAC name is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
PubChem CID56720229
Molecular FormulaC21H20N2O5
Molecular Weight380.40 g/mol
Exact Mass380.14
IUPAC NameN-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
SMILESCOc1cccc2c1OCC(NC(=O)c1coc(COc3ccccc3)n1)C2
InChIInChI=1S/C21H20N2O5/c1-25-18-9-5-6-14-10-15(11-28-20(14)18)22-21(24)17-12-27-19(23-17)13-26-16-7-3-2-4-8-16/h2-9,12,15H,10-11,13H2,1H3,(H,22,24)
InChIKeyRVLRMYSACSBTPE-UHFFFAOYSA-N
XLogP3.00
TPSA82.82 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.40
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2,6-dimethylpyrimidine-4-carboxamide
CID 131932776
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-5-oxo-1,4-dihydro-1,2,4-triazole-3-carboxamide
CID 137222532
N-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396887
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-2H-benzotriazole-5-carboxamide
CID 129396888
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-5-methyl-1-pyridin-2-ylpyrazole-4-carboxamide
CID 131927717
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-3-(prop-2-enoylamino)benzamide
CID 166412042
(3R)-8-methoxy-3,4-dihydro-2H-chromene-3-carboxylic acid
CID 7023638
N-[(2-methoxyphenyl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
CID 42415544
N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-3-(2,2,2-trifluoroethylamino)propanamide
CID 96539789
2-cyclopropyl-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1H-pyrrole-3-carboxamide
CID 126812603
3-[(3R)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]-1-methyl-1-(pyridin-4-ylmethyl)urea
CID 95977707
1-(furan-2-ylmethyl)-3-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-1-methylurea
CID 56824790

Frequently Asked Questions

What is the IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide (CID 56720229) is N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide is COc1cccc2c1OCC(NC(=O)c1coc(COc3ccccc3)n1)C2.
What is the InChIKey of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is RVLRMYSACSBTPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5/c1-25-18-9-5-6-14-10-15(11-28-20(14)18)22-21(24)17-12-27-19(23-17)13-26-16-7-3-2-4-8-16/h2-9,12,15H,10-11,13H2,1H3,(H,22,24).
What are the key properties of N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide?
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 380.40 g/mol, XLogP of 3.00, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 56720229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).