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

C17H23N3O2 — CID 3780432

IUPAC2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)Nc2ccc(C(C)(C)C)cc2)co1
InChIInChI=1S/C17H23N3O2/c1-5-13(18)16-20-14(10-22-16)15(21)19-12-8-6-11(7-9-12)17(2,3)4/h6-10,13H,5,18H2,1-4H3,(H,19,21)
InChIKeyUJTXWECOYWDSQC-UHFFFAOYSA-N
MW301.39 g/mol
LogP3.63
Rot. Bonds4

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

2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide (PubChem CID 3780432) has the molecular formula C17H23N3O2 and a molecular weight of 301.39 g/mol. Its IUPAC name is 2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
PubChem CID3780432
Molecular FormulaC17H23N3O2
Molecular Weight301.39 g/mol
Exact Mass301.18
IUPAC Name2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
SMILESCCC(N)c1nc(C(=O)Nc2ccc(C(C)(C)C)cc2)co1
InChIInChI=1S/C17H23N3O2/c1-5-13(18)16-20-14(10-22-16)15(21)19-12-8-6-11(7-9-12)17(2,3)4/h6-10,13H,5,18H2,1-4H3,(H,19,21)
InChIKeyUJTXWECOYWDSQC-UHFFFAOYSA-N
XLogP3.63
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.39
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-amino-2-phenylethyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3844343
2-(1-aminopropyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3275344
2-(1-amino-3-methylbutyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3435152
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-(1-amino-2-phenylethyl)-N-(4-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3426251
N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide
CID 3862852
2-(1-amino-3-methylsulfanylpropyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3388848
2-(1-amino-2-hydroxyethyl)-N-(3,4-dimethylphenyl)-1,3-oxazole-4-carboxamide
CID 3695546
2-(1-amino-3-methylsulfanylpropyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3388849
2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3261325
2-(1-aminoethyl)-N-(4-iodophenyl)-1,3-oxazole-4-carboxamide
CID 5182510
2-(1-amino-2-phenylethyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 5185231

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide (CID 3780432) is 2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide is CCC(N)c1nc(C(=O)Nc2ccc(C(C)(C)C)cc2)co1.
What is the InChIKey of 2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide?
The InChIKey is UJTXWECOYWDSQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O2/c1-5-13(18)16-20-14(10-22-16)15(21)19-12-8-6-11(7-9-12)17(2,3)4/h6-10,13H,5,18H2,1-4H3,(H,19,21).
What are the key properties of 2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide?
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide has a molecular weight of 301.39 g/mol, XLogP of 3.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 3780432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).