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

C14H17N3O2 — CID 106368624

IUPAC3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)CCc2ccc(N)cc2)o1
InChIInChI=1S/C14H17N3O2/c1-10-8-17-14(19-10)9-16-13(18)7-4-11-2-5-12(15)6-3-11/h2-3,5-6,8H,4,7,9,15H2,1H3,(H,16,18)
InChIKeyXNUQCHVANYVGGF-UHFFFAOYSA-N
MW259.31 g/mol
LogP1.81
Rot. Bonds5

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

3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (PubChem CID 106368624) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is 3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
PubChem CID106368624
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC Name3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
SMILESCc1cnc(CNC(=O)CCc2ccc(N)cc2)o1
InChIInChI=1S/C14H17N3O2/c1-10-8-17-14(19-10)9-16-13(18)7-4-11-2-5-12(15)6-3-11/h2-3,5-6,8H,4,7,9,15H2,1H3,(H,16,18)
InChIKeyXNUQCHVANYVGGF-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
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

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-3-(4-methylphenyl)propanamide
CID 110660397
3-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide
CID 106371442
2-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 83622965
3-(4-methoxyphenyl)-N-[2-(5-methyl-1,3-oxazol-2-yl)ethyl]propanamide
CID 110660602
4-amino-4-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pentanamide
CID 103811604
4-(methylamino)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]butanamide
CID 103811586
N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-phenylacetamide
CID 110660350
2-(4-aminophenyl)-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106368469
4-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119185478
5-amino-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 106368573
2-[4-[(Z)-N'-hydroxycarbamimidoyl]phenyl]-N-[(5-methyl-1,3-oxazol-2-yl)methyl]acetamide
CID 106375720
3-(4-aminophenyl)-N-(pyridin-4-ylmethyl)propanamide
CID 28712872

Frequently Asked Questions

What is the IUPAC name of 3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The IUPAC name of 3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide (CID 106368624) is 3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The canonical SMILES for 3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is Cc1cnc(CNC(=O)CCc2ccc(N)cc2)o1.
What is the InChIKey of 3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
The InChIKey is XNUQCHVANYVGGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-10-8-17-14(19-10)9-16-13(18)7-4-11-2-5-12(15)6-3-11/h2-3,5-6,8H,4,7,9,15H2,1H3,(H,16,18).
What are the key properties of 3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide?
3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide has a molecular weight of 259.31 g/mol, XLogP of 1.81, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-aminophenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]propanamide is sourced from PubChem (CID 106368624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).