N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide

C8H12N2O2 — CID 58831701

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide
SMILESCCC(=O)Nc1onc(C)c1C
InChIInChI=1S/C8H12N2O2/c1-4-7(11)9-8-5(2)6(3)10-12-8/h4H2,1-3H3,(H,9,11)
InChIKeyMTRUXNRENSVOCE-UHFFFAOYSA-N
MW168.20 g/mol
LogP1.64
Rot. Bonds2

About N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide (PubChem CID 58831701) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide
PubChem CID58831701
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide
SMILESCCC(=O)Nc1onc(C)c1C
InChIInChI=1S/C8H12N2O2/c1-4-7(11)9-8-5(2)6(3)10-12-8/h4H2,1-3H3,(H,9,11)
InChIKeyMTRUXNRENSVOCE-UHFFFAOYSA-N
XLogP1.64
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide (CID 58831701) is N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide is CCC(=O)Nc1onc(C)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide?
The InChIKey is MTRUXNRENSVOCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-4-7(11)9-8-5(2)6(3)10-12-8/h4H2,1-3H3,(H,9,11).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide has a molecular weight of 168.20 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)propanamide is sourced from PubChem (CID 58831701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).