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

C15H20N2O3 — CID 3242561

IUPACN-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2=NOC(C(=O)NC(C)(C)C)C2)c1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)16-14(18)13-9-12(17-20-13)10-6-5-7-11(8-10)19-4/h5-8,13H,9H2,1-4H3,(H,16,18)
InChIKeyGLGUSLZOENEHAM-UHFFFAOYSA-N
MW276.34 g/mol
LogP2.10
Rot. Bonds3

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

N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 3242561) has the molecular formula C15H20N2O3 and a molecular weight of 276.34 g/mol. Its IUPAC name is N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID3242561
Molecular FormulaC15H20N2O3
Molecular Weight276.34 g/mol
Exact Mass276.15
IUPAC NameN-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESCOc1cccc(C2=NOC(C(=O)NC(C)(C)C)C2)c1
InChIInChI=1S/C15H20N2O3/c1-15(2,3)16-14(18)13-9-12(17-20-13)10-6-5-7-11(8-10)19-4/h5-8,13H,9H2,1-4H3,(H,16,18)
InChIKeyGLGUSLZOENEHAM-UHFFFAOYSA-N
XLogP2.10
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 3242561) is N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is COc1cccc(C2=NOC(C(=O)NC(C)(C)C)C2)c1.
What is the InChIKey of N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is GLGUSLZOENEHAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O3/c1-15(2,3)16-14(18)13-9-12(17-20-13)10-6-5-7-11(8-10)19-4/h5-8,13H,9H2,1-4H3,(H,16,18).
What are the key properties of N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 276.34 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-(3-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 3242561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).