N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide

C16H21N3O2 — CID 71090833

IUPACN-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2cc(C(=O)NCCN)no2)cc1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)12-6-4-11(5-7-12)14-10-13(19-21-14)15(20)18-9-8-17/h4-7,10H,8-9,17H2,1-3H3,(H,18,20)
InChIKeyGOZPWIIOARIASE-UHFFFAOYSA-N
MW287.36 g/mol
LogP2.33
Rot. Bonds4

About N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide

N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide (PubChem CID 71090833) has the molecular formula C16H21N3O2 and a molecular weight of 287.36 g/mol. Its IUPAC name is N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
PubChem CID71090833
Molecular FormulaC16H21N3O2
Molecular Weight287.36 g/mol
Exact Mass287.16
IUPAC NameN-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide
SMILESCC(C)(C)c1ccc(-c2cc(C(=O)NCCN)no2)cc1
InChIInChI=1S/C16H21N3O2/c1-16(2,3)12-6-4-11(5-7-12)14-10-13(19-21-14)15(20)18-9-8-17/h4-7,10H,8-9,17H2,1-3H3,(H,18,20)
InChIKeyGOZPWIIOARIASE-UHFFFAOYSA-N
XLogP2.33
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.36
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(4-tert-butylphenyl)-N-(3-methylbutyl)-1,2-oxazole-3-carboxamide
CID 46087322
5-(4-tert-butylphenyl)-N-(2-methylprop-2-enyl)-1,2-oxazole-3-carboxamide
CID 24964413
N-[2-(4-tert-butylphenyl)ethyl]-5-pyridin-4-yl-1,2-oxazole-3-carboxamide
CID 112845456
N-(2-amino-2-methylpropyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide
CID 119629061
N-[2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 44602317
N-[(2R)-2-(4-tert-butylphenyl)-2-(dimethylamino)ethyl]-5-phenyl-1,2-oxazole-3-carboxamide
CID 26833910
5-(4-chlorophenyl)-N-[2-(ethylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 119507911
N-(3-aminobutyl)-5-(4-chlorophenyl)-1,2-oxazole-3-carboxamide;hydrochloride
CID 119498092
N-(2-amino-2-methylpropyl)-5-pyridin-4-yl-1,2-oxazole-3-carboxamide;dihydrochloride
CID 119630359
5-(4-bromophenyl)-N-butyl-1,2-oxazole-3-carboxamide
CID 22427396
4-tert-butyl-N-[[5-(4-chlorophenyl)-1,2-oxazol-3-yl]methyl]benzamide
CID 16866729
5-phenyl-N-[2-(2,2,4-trimethylpentanoylamino)ethyl]-1,2-oxazole-3-carboxamide
CID 131991756

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide (CID 71090833) is N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide is CC(C)(C)c1ccc(-c2cc(C(=O)NCCN)no2)cc1.
What is the InChIKey of N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide?
The InChIKey is GOZPWIIOARIASE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2/c1-16(2,3)12-6-4-11(5-7-12)14-10-13(19-21-14)15(20)18-9-8-17/h4-7,10H,8-9,17H2,1-3H3,(H,18,20).
What are the key properties of N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide?
N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide has a molecular weight of 287.36 g/mol, XLogP of 2.33, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-5-(4-tert-butylphenyl)-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 71090833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).