2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide

C18H22N4O2 — CID 24794271

IUPAC2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)NCc3nccn3CC)ccc2o1
InChIInChI=1S/C18H22N4O2/c1-3-5-6-17-21-14-11-13(7-8-15(14)24-17)18(23)20-12-16-19-9-10-22(16)4-2/h7-11H,3-6,12H2,1-2H3,(H,20,23)
InChIKeyQXINAFBITXHBAJ-UHFFFAOYSA-N
MW326.40 g/mol
LogP3.32
Rot. Bonds7

About 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide

2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide (PubChem CID 24794271) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide.

Molecular Properties

Compound Name2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
PubChem CID24794271
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide
SMILESCCCCc1nc2cc(C(=O)NCc3nccn3CC)ccc2o1
InChIInChI=1S/C18H22N4O2/c1-3-5-6-17-21-14-11-13(7-8-15(14)24-17)18(23)20-12-16-19-9-10-22(16)4-2/h7-11H,3-6,12H2,1-2H3,(H,20,23)
InChIKeyQXINAFBITXHBAJ-UHFFFAOYSA-N
XLogP3.32
TPSA72.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-butyl-N-[(2S)-2-hydroxybutyl]-1,3-benzoxazole-5-carboxamide
CID 42360414
2-butyl-1,3-benzoxazole-5-carboxylic acid
CID 2763366
2-butyl-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-1,3-benzoxazole-5-carboxamide
CID 42241471
N-[(1-ethylimidazol-2-yl)methyl]-2-propan-2-yl-1,3-benzoxazol-5-amine
CID 62350283
N-[(1,5-dimethylpyrazol-3-yl)methyl]-2-(3-phenylpropyl)-1,3-benzoxazole-5-carboxamide
CID 42526152
2-[(3S)-3-hydroxypyrrolidin-1-yl]-1-methyl-N-[(1-propylimidazol-2-yl)methyl]benzimidazole-5-carboxamide
CID 72906682
2-chloro-N-[(1-ethylimidazol-2-yl)methyl]pyridine-3-carboxamide
CID 154880576
2-(chloromethyl)-N-octan-4-yl-1,3-benzoxazole-5-carboxamide
CID 138509734
2,3-dimethyl-N-[(1-methylimidazol-2-yl)methyl]quinoxaline-6-carboxamide
CID 110440656
N-[(1-ethylimidazol-2-yl)methyl]-2,6-dimethoxypyrimidine-4-carboxamide
CID 45239732
(2-butyl-1,3-benzoxazol-5-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 24794237
2-butyl-5-chloro-1,3-benzoxazole
CID 3726019

Frequently Asked Questions

What is the IUPAC name of 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The IUPAC name of 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide (CID 24794271) is 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide.
What is the SMILES notation for 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The canonical SMILES for 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide is CCCCc1nc2cc(C(=O)NCc3nccn3CC)ccc2o1.
What is the InChIKey of 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide?
The InChIKey is QXINAFBITXHBAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c1-3-5-6-17-21-14-11-13(7-8-15(14)24-17)18(23)20-12-16-19-9-10-22(16)4-2/h7-11H,3-6,12H2,1-2H3,(H,20,23).
What are the key properties of 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide?
2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide has a molecular weight of 326.40 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-N-[(1-ethylimidazol-2-yl)methyl]-1,3-benzoxazole-5-carboxamide is sourced from PubChem (CID 24794271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).