N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide

C16H21N3O2 — CID 33169964

IUPACN-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1c(C)noc1C
InChIInChI=1S/C16H21N3O2/c1-11-15(12(2)21-18-11)9-17-16-8-6-5-7-14(16)10-19(4)13(3)20/h5-8,17H,9-10H2,1-4H3
InChIKeyIFIKNFRQYPXRAZ-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.88
Rot. Bonds5

About N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide

N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide (PubChem CID 33169964) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide
PubChem CID33169964
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide
SMILESCC(=O)N(C)Cc1ccccc1NCc1c(C)noc1C
InChIInChI=1S/C16H21N3O2/c1-11-15(12(2)21-18-11)9-17-16-8-6-5-7-14(16)10-19(4)13(3)20/h5-8,17H,9-10H2,1-4H3
InChIKeyIFIKNFRQYPXRAZ-UHFFFAOYSA-N
XLogP2.88
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide?
The IUPAC name of N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide (CID 33169964) is N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide.
What is the SMILES notation for N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide?
The canonical SMILES for N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide is CC(=O)N(C)Cc1ccccc1NCc1c(C)noc1C.
What is the InChIKey of N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide?
The InChIKey is IFIKNFRQYPXRAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-11-15(12(2)21-18-11)9-17-16-8-6-5-7-14(16)10-19(4)13(3)20/h5-8,17H,9-10H2,1-4H3.
What are the key properties of N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide?
N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide has a molecular weight of 287.36 g/mol, XLogP of 2.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]phenyl]methyl]-N-methylacetamide is sourced from PubChem (CID 33169964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).