N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide

C16H21N3O2 — CID 75388509

IUPACN-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccon1
InChIInChI=1S/C16H21N3O2/c1-16(2,17-15(20)14-9-10-21-18-14)12-19(3)11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,17,20)
InChIKeyOHDQLAFSIJNGRU-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.32
Rot. Bonds6

About N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide

N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide (PubChem CID 75388509) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide
PubChem CID75388509
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide
SMILESCN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccon1
InChIInChI=1S/C16H21N3O2/c1-16(2,17-15(20)14-9-10-21-18-14)12-19(3)11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,17,20)
InChIKeyOHDQLAFSIJNGRU-UHFFFAOYSA-N
XLogP2.32
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The IUPAC name of N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide (CID 75388509) is N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide is CN(Cc1ccccc1)CC(C)(C)NC(=O)c1ccon1.
What is the InChIKey of N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide?
The InChIKey is OHDQLAFSIJNGRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,17-15(20)14-9-10-21-18-14)12-19(3)11-13-7-5-4-6-8-13/h4-10H,11-12H2,1-3H3,(H,17,20).
What are the key properties of N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide?
N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[benzyl(methyl)amino]-2-methylpropan-2-yl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 75388509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).