1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one

C14H16N2O2 — CID 106373886

IUPAC1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(NCc2ncc(C)o2)cc1
InChIInChI=1S/C14H16N2O2/c1-3-13(17)11-4-6-12(7-5-11)15-9-14-16-8-10(2)18-14/h4-8,15H,3,9H2,1-2H3
InChIKeyNMPJLBPZEASVGE-UHFFFAOYSA-N
MW244.29 g/mol
LogP3.19
Rot. Bonds5

About 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one

1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one (PubChem CID 106373886) has the molecular formula C14H16N2O2 and a molecular weight of 244.29 g/mol. Its IUPAC name is 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one.

Molecular Properties

Compound Name1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one
PubChem CID106373886
Molecular FormulaC14H16N2O2
Molecular Weight244.29 g/mol
Exact Mass244.12
IUPAC Name1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one
SMILESCCC(=O)c1ccc(NCc2ncc(C)o2)cc1
InChIInChI=1S/C14H16N2O2/c1-3-13(17)11-4-6-12(7-5-11)15-9-14-16-8-10(2)18-14/h4-8,15H,3,9H2,1-2H3
InChIKeyNMPJLBPZEASVGE-UHFFFAOYSA-N
XLogP3.19
TPSA55.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.29
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzenesulfonamide
CID 106373911
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-propanoylbenzenesulfonamide
CID 71912536
2-chloro-N-methyl-4-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 71857453
3-N-ethyl-5-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridine-3,5-diamine
CID 106378568
1-ethyl-3-[(5-methyl-1,3-oxazol-2-yl)methyl]urea
CID 103738715
methyl 4-amino-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzoate
CID 114180877
2-[(5-methyl-1,3-oxazol-2-yl)methylamino]-1,3-oxazole-4-carboxylic acid
CID 106373101
methyl 5-[(5-methyl-1,3-oxazol-2-yl)methylamino]-2-nitrobenzoate
CID 75515225
1-[4-[[2-ethyl-2-(hydroxymethyl)butyl]amino]phenyl]propan-1-one
CID 106257829
N-(6-methoxy-3-pyridinyl)-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]benzamide
CID 84588254
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-phenylbenzamide
CID 110660378

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one?
The IUPAC name of 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one (CID 106373886) is 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one.
What is the SMILES notation for 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one?
The canonical SMILES for 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one is CCC(=O)c1ccc(NCc2ncc(C)o2)cc1.
What is the InChIKey of 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one?
The InChIKey is NMPJLBPZEASVGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O2/c1-3-13(17)11-4-6-12(7-5-11)15-9-14-16-8-10(2)18-14/h4-8,15H,3,9H2,1-2H3.
What are the key properties of 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one?
1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one has a molecular weight of 244.29 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]propan-1-one is sourced from PubChem (CID 106373886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).