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

C14H17N3O2 — CID 106368469

IUPAC2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCCc1cnc(CNC(=O)Cc2ccc(N)cc2)o1
InChIInChI=1S/C14H17N3O2/c1-2-12-8-17-14(19-12)9-16-13(18)7-10-3-5-11(15)6-4-10/h3-6,8H,2,7,9,15H2,1H3,(H,16,18)
InChIKeyLTADGKLAGSUDOC-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.68
Rot. Bonds5

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

2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide (PubChem CID 106368469) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
PubChem CID106368469
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
SMILESCCc1cnc(CNC(=O)Cc2ccc(N)cc2)o1
InChIInChI=1S/C14H17N3O2/c1-2-12-8-17-14(19-12)9-16-13(18)7-10-3-5-11(15)6-4-10/h3-6,8H,2,7,9,15H2,1H3,(H,16,18)
InChIKeyLTADGKLAGSUDOC-UHFFFAOYSA-N
XLogP1.68
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

1-(4-aminophenyl)-3-[(5-ethyl-1,3-oxazol-2-yl)methyl]urea
CID 106373291
(E)-3-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]prop-2-enamide
CID 106370803
2-(4-aminopyrazol-1-yl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 114179908
2-(2-aminophenoxy)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368467
2-(4-aminophenyl)-N-[(5-ethyl-1,3-thiazol-2-yl)methyl]acetamide
CID 103814839
3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106368624
2-(2-aminoethoxy)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106370910
(2S)-2-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371001
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3,5-difluorobenzamide
CID 106377037
5-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2,4-dimethylbenzamide
CID 106368562
2-amino-2-ethyl-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]butanamide
CID 106370796
4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-5-methylthiophene-2-carboxamide
CID 106368458

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
The IUPAC name of 2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide (CID 106368469) is 2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide.
What is the SMILES notation for 2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
The canonical SMILES for 2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide is CCc1cnc(CNC(=O)Cc2ccc(N)cc2)o1.
What is the InChIKey of 2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
The InChIKey is LTADGKLAGSUDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-12-8-17-14(19-12)9-16-13(18)7-10-3-5-11(15)6-4-10/h3-6,8H,2,7,9,15H2,1H3,(H,16,18).
What are the key properties of 2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide?
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide has a molecular weight of 259.31 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide is sourced from PubChem (CID 106368469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).