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

C18H22N2O4 — CID 72853193

IUPACN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1cc(C(C)C)on1)C2
InChIInChI=1S/C18H22N2O4/c1-11(2)16-8-15(20-24-16)18(21)19-9-12-6-13-4-5-14(22-3)7-17(13)23-10-12/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,19,21)
InChIKeyTZZBNFRWJZJZOT-UHFFFAOYSA-N
MW330.38 g/mol
LogP2.79
Rot. Bonds5

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

N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 72853193) has the molecular formula C18H22N2O4 and a molecular weight of 330.38 g/mol. Its IUPAC name is N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
PubChem CID72853193
Molecular FormulaC18H22N2O4
Molecular Weight330.38 g/mol
Exact Mass330.16
IUPAC NameN-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide
SMILESCOc1ccc2c(c1)OCC(CNC(=O)c1cc(C(C)C)on1)C2
InChIInChI=1S/C18H22N2O4/c1-11(2)16-8-15(20-24-16)18(21)19-9-12-6-13-4-5-14(22-3)7-17(13)23-10-12/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,19,21)
InChIKeyTZZBNFRWJZJZOT-UHFFFAOYSA-N
XLogP2.79
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 ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide (CID 72853193) is N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is COc1ccc2c(c1)OCC(CNC(=O)c1cc(C(C)C)on1)C2.
What is the InChIKey of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
The InChIKey is TZZBNFRWJZJZOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O4/c1-11(2)16-8-15(20-24-16)18(21)19-9-12-6-13-4-5-14(22-3)7-17(13)23-10-12/h4-5,7-8,11-12H,6,9-10H2,1-3H3,(H,19,21).
What are the key properties of N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide?
N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide has a molecular weight of 330.38 g/mol, XLogP of 2.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(7-methoxy-3,4-dihydro-2H-chromen-3-yl)methyl]-5-propan-2-yl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 72853193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).