N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide

C16H20N2O2 — CID 134857358

IUPACN-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C16H20N2O2/c1-5-15(19)17-10(2)13-6-8-14(9-7-13)16-11(3)18-20-12(16)4/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyXOIHHYQHIBUICU-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.55
Rot. Bonds4

About N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide

N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide (PubChem CID 134857358) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide.

Molecular Properties

Compound NameN-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide
PubChem CID134857358
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC NameN-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide
SMILESCCC(=O)NC(C)c1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C16H20N2O2/c1-5-15(19)17-10(2)13-6-8-14(9-7-13)16-11(3)18-20-12(16)4/h6-10H,5H2,1-4H3,(H,17,19)
InChIKeyXOIHHYQHIBUICU-UHFFFAOYSA-N
XLogP3.55
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide?
The IUPAC name of N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide (CID 134857358) is N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide.
What is the SMILES notation for N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide?
The canonical SMILES for N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide is CCC(=O)NC(C)c1ccc(-c2c(C)noc2C)cc1.
What is the InChIKey of N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide?
The InChIKey is XOIHHYQHIBUICU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-5-15(19)17-10(2)13-6-8-14(9-7-13)16-11(3)18-20-12(16)4/h6-10H,5H2,1-4H3,(H,17,19).
What are the key properties of N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide?
N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide has a molecular weight of 272.35 g/mol, XLogP of 3.55, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]ethyl]propanamide is sourced from PubChem (CID 134857358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).