2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

C18H22N2O4 — CID 72929834

IUPAC2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2COc3cc(OC)ccc3C2)o1
InChIInChI=1S/C18H22N2O4/c1-4-16-20-11(2)17(24-16)18(21)19-9-12-7-13-5-6-14(22-3)8-15(13)23-10-12/h5-6,8,12H,4,7,9-10H2,1-3H3,(H,19,21)
InChIKeyICOMBBQGMUXKHV-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.54
Rot. Bonds5

About 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide

2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (PubChem CID 72929834) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound Name2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
PubChem CID72929834
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC Name2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide
SMILESCCc1nc(C)c(C(=O)NCC2COc3cc(OC)ccc3C2)o1
InChIInChI=1S/C18H22N2O4/c1-4-16-20-11(2)17(24-16)18(21)19-9-12-7-13-5-6-14(22-3)8-15(13)23-10-12/h5-6,8,12H,4,7,9-10H2,1-3H3,(H,19,21)
InChIKeyICOMBBQGMUXKHV-UHFFFAOYSA-N
XLogP2.54
TPSA73.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.38
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The IUPAC name of 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide (CID 72929834) is 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide.
What is the SMILES notation for 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The canonical SMILES for 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is CCc1nc(C)c(C(=O)NCC2COc3cc(OC)ccc3C2)o1.
What is the InChIKey of 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
The InChIKey is ICOMBBQGMUXKHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-4-16-20-11(2)17(24-16)18(21)19-9-12-7-13-5-6-14(22-3)8-15(13)23-10-12/h5-6,8,12H,4,7,9-10H2,1-3H3,(H,19,21).
What are the key properties of 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide?
2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-4-methyl-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 72929834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).