N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide

C11H18N2O3 — CID 67953667

IUPACN-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)COC)on1
InChIInChI=1S/C11H18N2O3/c1-5-10(14)12-9-6-8(16-13-9)11(2,3)7-15-4/h6H,5,7H2,1-4H3,(H,12,13,14)
InChIKeyPDMJAQWIFNXXMS-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.95
Rot. Bonds5

About N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide

N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide (PubChem CID 67953667) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide.

Molecular Properties

Compound NameN-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide
PubChem CID67953667
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC NameN-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide
SMILESCCC(=O)Nc1cc(C(C)(C)COC)on1
InChIInChI=1S/C11H18N2O3/c1-5-10(14)12-9-6-8(16-13-9)11(2,3)7-15-4/h6H,5,7H2,1-4H3,(H,12,13,14)
InChIKeyPDMJAQWIFNXXMS-UHFFFAOYSA-N
XLogP1.95
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide?
The IUPAC name of N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide (CID 67953667) is N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide.
What is the SMILES notation for N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide?
The canonical SMILES for N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide is CCC(=O)Nc1cc(C(C)(C)COC)on1.
What is the InChIKey of N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide?
The InChIKey is PDMJAQWIFNXXMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-10(14)12-9-6-8(16-13-9)11(2,3)7-15-4/h6H,5,7H2,1-4H3,(H,12,13,14).
What are the key properties of N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide?
N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide has a molecular weight of 226.28 g/mol, XLogP of 1.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-methoxy-2-methylpropan-2-yl)-1,2-oxazol-3-yl]propanamide is sourced from PubChem (CID 67953667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).