N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide

C13H15N3O2 — CID 82371371

IUPACN-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2noc(C)c2CN)c1
InChIInChI=1S/C13H15N3O2/c1-8-12(7-14)13(16-18-8)10-4-3-5-11(6-10)15-9(2)17/h3-6H,7,14H2,1-2H3,(H,15,17)
InChIKeySRXKQKIXPIJHLP-UHFFFAOYSA-N
MW245.28 g/mol
LogP2.07
Rot. Bonds3

About N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide

N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide (PubChem CID 82371371) has the molecular formula C13H15N3O2 and a molecular weight of 245.28 g/mol. Its IUPAC name is N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide.

Molecular Properties

Compound NameN-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
PubChem CID82371371
Molecular FormulaC13H15N3O2
Molecular Weight245.28 g/mol
Exact Mass245.12
IUPAC NameN-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide
SMILESCC(=O)Nc1cccc(-c2noc(C)c2CN)c1
InChIInChI=1S/C13H15N3O2/c1-8-12(7-14)13(16-18-8)10-4-3-5-11(6-10)15-9(2)17/h3-6H,7,14H2,1-2H3,(H,15,17)
InChIKeySRXKQKIXPIJHLP-UHFFFAOYSA-N
XLogP2.07
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.28
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(3-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]methanamine
CID 82127944
1-(3-methoxyphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738197
N-[3-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 53013476
3-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methyl-N-(3-phenylphenyl)propanamide
CID 154860282
[5-methyl-3-(4-methylphenyl)-1,2-oxazol-4-yl]methanamine;hydrochloride
CID 82019192
N-[3-(6-chloro-4-methylpyridazin-3-yl)phenyl]acetamide
CID 58006576
N-[3-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 21358511
1-(3,5-dimethylphenyl)-3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methyl]urea
CID 2738199
N-[4-[[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]carbamoylamino]phenyl]acetamide
CID 50777698
N-[3-[5-(aminomethyl)-1-ethylpyrazol-3-yl]phenyl]acetamide
CID 84761606
2-(3-acetamidophenyl)pyridine-3-carboxylic acid
CID 53223643
N-(3-chlorophenyl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 873609

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide?
The IUPAC name of N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide (CID 82371371) is N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide.
What is the SMILES notation for N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide?
The canonical SMILES for N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide is CC(=O)Nc1cccc(-c2noc(C)c2CN)c1.
What is the InChIKey of N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide?
The InChIKey is SRXKQKIXPIJHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2/c1-8-12(7-14)13(16-18-8)10-4-3-5-11(6-10)15-9(2)17/h3-6H,7,14H2,1-2H3,(H,15,17).
What are the key properties of N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide?
N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide has a molecular weight of 245.28 g/mol, XLogP of 2.07, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(aminomethyl)-5-methyl-1,2-oxazol-3-yl]phenyl]acetamide is sourced from PubChem (CID 82371371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).