2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide

C21H26N4O2 — CID 18458243

IUPAC2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2cnc3cccc(C(C)(C)C)c3c2)co1
InChIInChI=1S/C21H26N4O2/c1-5-7-16(22)20-25-18(12-27-20)19(26)24-13-10-14-15(21(2,3)4)8-6-9-17(14)23-11-13/h6,8-12,16H,5,7,22H2,1-4H3,(H,24,26)
InChIKeyVVSKBNOIEFMLBP-UHFFFAOYSA-N
MW366.47 g/mol
LogP4.57
Rot. Bonds5

About 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide

2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide (PubChem CID 18458243) has the molecular formula C21H26N4O2 and a molecular weight of 366.47 g/mol. Its IUPAC name is 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound Name2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide
PubChem CID18458243
Molecular FormulaC21H26N4O2
Molecular Weight366.47 g/mol
Exact Mass366.21
IUPAC Name2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide
SMILESCCCC(N)c1nc(C(=O)Nc2cnc3cccc(C(C)(C)C)c3c2)co1
InChIInChI=1S/C21H26N4O2/c1-5-7-16(22)20-25-18(12-27-20)19(26)24-13-10-14-15(21(2,3)4)8-6-9-17(14)23-11-13/h6,8-12,16H,5,7,22H2,1-4H3,(H,24,26)
InChIKeyVVSKBNOIEFMLBP-UHFFFAOYSA-N
XLogP4.57
TPSA94.04 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.47
LogP ≤ 54.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-aminopentyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3861776
N-[4-(4-aminobenzoyl)phenyl]-2-(1-aminobutyl)-1,3-oxazole-4-carboxamide
CID 3862852
2-(1-aminopropyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3780432
2-(1-aminopentyl)-N-(4-methoxyphenyl)-1,3-oxazole-4-carboxamide
CID 3859480
2-(1-aminobutyl)-N-(4-morpholin-4-ylphenyl)-1,3-oxazole-4-carboxamide
CID 3261325
2-(1-amino-3-methylbutyl)-N-(3-ethylphenyl)-1,3-oxazole-4-carboxamide
CID 3791845
2-(1-amino-2-phenylethyl)-N-(4-tert-butylphenyl)-1,3-oxazole-4-carboxamide
CID 3844343
2-(1-aminobutyl)-N-[(2-chlorophenyl)methyl]-1,3-oxazole-4-carboxamide
CID 3829499
2-(1-aminobutyl)-N-cyclopropyl-1,3-oxazole-4-carboxamide
CID 5156440
2-(1-amino-3-methylsulfanylpropyl)-N-(4-fluorophenyl)-1,3-oxazole-4-carboxamide
CID 3388849
2-(1-aminobutyl)-N-(cyclopropylmethyl)-1,3-oxazole-4-carboxamide
CID 3795383
2-(1-amino-3-methylsulfanylpropyl)-N-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 3388848

Frequently Asked Questions

What is the IUPAC name of 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide (CID 18458243) is 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide is CCCC(N)c1nc(C(=O)Nc2cnc3cccc(C(C)(C)C)c3c2)co1.
What is the InChIKey of 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is VVSKBNOIEFMLBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O2/c1-5-7-16(22)20-25-18(12-27-20)19(26)24-13-10-14-15(21(2,3)4)8-6-9-17(14)23-11-13/h6,8-12,16H,5,7,22H2,1-4H3,(H,24,26).
What are the key properties of 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide?
2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 366.47 g/mol, XLogP of 4.57, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-aminobutyl)-N-(5-tert-butylquinolin-3-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 18458243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).