N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide

C13H15N3O2 — CID 75517137

IUPACN-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cc(C)on1
InChIInChI=1S/C13H15N3O2/c1-9-7-13(16-18-9)14-8-11-5-3-4-6-12(11)15-10(2)17/h3-7H,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLHZSOURTJAYOLZ-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.55
Rot. Bonds4

About N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide

N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide (PubChem CID 75517137) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide
PubChem CID75517137
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide
SMILESCC(=O)Nc1ccccc1CNc1cc(C)on1
InChIInChI=1S/C13H15N3O2/c1-9-7-13(16-18-9)14-8-11-5-3-4-6-12(11)15-10(2)17/h3-7H,8H2,1-2H3,(H,14,16)(H,15,17)
InChIKeyLHZSOURTJAYOLZ-UHFFFAOYSA-N
XLogP2.55
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[(2-ethylanilino)methyl]phenyl]acetamide
CID 66385432
N-[2-[[(6-fluoro-2-pyridinyl)amino]methyl]phenyl]acetamide
CID 115658048
1-N-(2-ethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)cyclohexane-1,4-dicarboxamide
CID 109150775
2-[2-[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]phenyl]acetic acid
CID 119218457
N-[2-[(tert-butylamino)methyl]phenyl]acetamide
CID 66385215
N-(2-bromophenyl)-2-[(5-methyl-1,2-oxazol-3-yl)amino]acetamide
CID 109010783
N-[2-[(3-bromo-5-methylanilino)methyl]phenyl]acetamide
CID 104938218
2-[2-[2-(ethylaminomethyl)anilino]-2-oxoethyl]sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
CID 119440797
N-[2-[(3-hydroxyanilino)methyl]phenyl]acetamide
CID 66385038
N-[2-[(2-ethyl-6-methylanilino)methyl]phenyl]acetamide
CID 66417086
N-(2-hydroxyphenyl)-N'-(5-methyl-1,2-oxazol-3-yl)oxamide
CID 108514273
N-[2-[(3,5-dichloro-4-hydroxyanilino)methyl]phenyl]acetamide
CID 107679126

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide?
The IUPAC name of N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide (CID 75517137) is N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide.
What is the SMILES notation for N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide?
The canonical SMILES for N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide is CC(=O)Nc1ccccc1CNc1cc(C)on1.
What is the InChIKey of N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide?
The InChIKey is LHZSOURTJAYOLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-9-7-13(16-18-9)14-8-11-5-3-4-6-12(11)15-10(2)17/h3-7H,8H2,1-2H3,(H,14,16)(H,15,17).
What are the key properties of N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide?
N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide has a molecular weight of 245.28 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(5-methyl-1,2-oxazol-3-yl)amino]methyl]phenyl]acetamide is sourced from PubChem (CID 75517137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).