N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide

C18H20N2O4 — CID 86822503

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCc1nc(C)c(C)o1)=C2
InChIInChI=1S/C18H20N2O4/c1-4-22-15-7-5-6-13-8-14(10-23-17(13)15)18(21)19-9-16-20-11(2)12(3)24-16/h5-8H,4,9-10H2,1-3H3,(H,19,21)
InChIKeyJYXMEBNEVLZZBI-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.78
Rot. Bonds5

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide (PubChem CID 86822503) has the molecular formula C18H20N2O4 and a molecular weight of 328.37 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide
PubChem CID86822503
Molecular FormulaC18H20N2O4
Molecular Weight328.37 g/mol
Exact Mass328.14
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide
SMILESCCOc1cccc2c1OCC(C(=O)NCc1nc(C)c(C)o1)=C2
InChIInChI=1S/C18H20N2O4/c1-4-22-15-7-5-6-13-8-14(10-23-17(13)15)18(21)19-9-16-20-11(2)12(3)24-16/h5-8H,4,9-10H2,1-3H3,(H,19,21)
InChIKeyJYXMEBNEVLZZBI-UHFFFAOYSA-N
XLogP2.78
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-ethoxy-4-methoxybenzamide
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CID 55712547
8-ethoxy-N-[furan-2-yl(phenyl)methyl]-2H-chromene-3-carboxamide
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8-methoxy-N-[2-(methylamino)ethyl]-2H-chromene-3-carboxamide;hydrochloride
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N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,6-dihydroxybenzamide
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Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide (CID 86822503) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide is CCOc1cccc2c1OCC(C(=O)NCc1nc(C)c(C)o1)=C2.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide?
The InChIKey is JYXMEBNEVLZZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N2O4/c1-4-22-15-7-5-6-13-8-14(10-23-17(13)15)18(21)19-9-16-20-11(2)12(3)24-16/h5-8H,4,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide has a molecular weight of 328.37 g/mol, XLogP of 2.78, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-8-ethoxy-2H-chromene-3-carboxamide is sourced from PubChem (CID 86822503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).