[3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone

C20H15N5O3 — CID 58522794

IUPAC[3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone
SMILES[C-]#[N+]c1ccc2ncc(-c3noc4cc(C(=O)N5CCOCC5)ccc34)n2c1
InChIInChI=1S/C20H15N5O3/c1-21-14-3-5-18-22-11-16(25(18)12-14)19-15-4-2-13(10-17(15)28-23-19)20(26)24-6-8-27-9-7-24/h2-5,10-12H,6-9H2
InChIKeyIXNICTFAAMRHNZ-UHFFFAOYSA-N
MW373.37 g/mol
LogP3.17
Rot. Bonds2

About [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone

[3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone (PubChem CID 58522794) has the molecular formula C20H15N5O3 and a molecular weight of 373.37 g/mol. Its IUPAC name is [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone
PubChem CID58522794
Molecular FormulaC20H15N5O3
Molecular Weight373.37 g/mol
Exact Mass373.12
IUPAC Name[3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone
SMILES[C-]#[N+]c1ccc2ncc(-c3noc4cc(C(=O)N5CCOCC5)ccc34)n2c1
InChIInChI=1S/C20H15N5O3/c1-21-14-3-5-18-22-11-16(25(18)12-14)19-15-4-2-13(10-17(15)28-23-19)20(26)24-6-8-27-9-7-24/h2-5,10-12H,6-9H2
InChIKeyIXNICTFAAMRHNZ-UHFFFAOYSA-N
XLogP3.17
TPSA77.23 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

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Related Compounds

4-(8-methoxy-2-(methoxymethyl)-1-(pyridin-2-ylmethyl)-1H-imidazo[4,5-c]quinolin-7-yl)-3,5-dimethylisoxazole
CID 52934277
Azepan-1-yl(3-(6-fluoroimidazo[1,2-a]pyridin-3-yl)benzo[d]isoxazol-6-yl)methanone
CID 58522807
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(2-pyridin-2-ylethyl)benzimidazol-1-yl]ethyl]morpholine
CID 137637179
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(2-pyridin-4-ylethyl)benzimidazol-1-yl]ethyl]morpholine
CID 137650954
4-[9-[[4-(3,5-Dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-8-methylpurin-6-yl]morpholine
CID 137655726
4-[2-[5-(3,5-Dimethyl-1,2-oxazol-4-yl)-2-(2-pyridin-3-ylethyl)benzimidazol-1-yl]ethyl]morpholine
CID 137656022
N-[[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
CID 137658687
N-[5-(7-propan-2-ylpyrrolo[2,3-d]pyrimidine-5-carbonyl)-3-pyridinyl]-4,5,6,7-tetrahydro-1,2-benzoxazole-3-carboxamide
CID 90683875
N-cyclohexyl-7-(3-methyl-1,2-benzoxazol-6-yl)-2-(2-phenylethyl)imidazo[1,2-a]pyridin-3-amine
CID 164615879
[4-[[5-(3,5-Dimethylisoxazol-4-yl)-1-methyl-pyrrolo[2,3-b]pyridin-3-yl]methyl]-1-piperidyl]-phenyl-methanone
CID 117628332
N-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]methyl]-2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-amine
CID 137645528
[4-[3-(3,5-Dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridin-6-yl]phenyl]-morpholin-4-ylmethanone
CID 177376541

Frequently Asked Questions

What is the IUPAC name of [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone?
The IUPAC name of [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone (CID 58522794) is [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone is [C-]#[N+]c1ccc2ncc(-c3noc4cc(C(=O)N5CCOCC5)ccc34)n2c1.
What is the InChIKey of [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone?
The InChIKey is IXNICTFAAMRHNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3/c1-21-14-3-5-18-22-11-16(25(18)12-14)19-15-4-2-13(10-17(15)28-23-19)20(26)24-6-8-27-9-7-24/h2-5,10-12H,6-9H2.
What are the key properties of [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone?
[3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone has a molecular weight of 373.37 g/mol, XLogP of 3.17, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(6-isocyanoimidazo[1,2-a]pyridin-3-yl)-1,2-benzoxazol-6-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 58522794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).