N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C18H18N2O3 — CID 3238182

IUPACN-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-15-9-7-14(8-10-15)16-11-17(23-20-16)18(21)19-12-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3,(H,19,21)
InChIKeyRSBQFVIWASNLDN-UHFFFAOYSA-N
MW310.35 g/mol
LogP2.50
Rot. Bonds5

About N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3238182) has the molecular formula C18H18N2O3 and a molecular weight of 310.35 g/mol. Its IUPAC name is N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3238182
Molecular FormulaC18H18N2O3
Molecular Weight310.35 g/mol
Exact Mass310.13
IUPAC NameN-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1ccc(C2=NOC(C(=O)NCc3ccccc3)C2)cc1
InChIInChI=1S/C18H18N2O3/c1-22-15-9-7-14(8-10-15)16-11-17(23-20-16)18(21)19-12-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3,(H,19,21)
InChIKeyRSBQFVIWASNLDN-UHFFFAOYSA-N
XLogP2.50
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.35
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3238182) is N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1ccc(C2=NOC(C(=O)NCc3ccccc3)C2)cc1.
What is the InChIKey of N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is RSBQFVIWASNLDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N2O3/c1-22-15-9-7-14(8-10-15)16-11-17(23-20-16)18(21)19-12-13-5-3-2-4-6-13/h2-10,17H,11-12H2,1H3,(H,19,21).
What are the key properties of N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 310.35 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-(4-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3238182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).