2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

C14H15ClN4O — CID 106375889

IUPAC2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2c(C(C)Cl)nc3cnccc32)oc1C
InChIInChI=1S/C14H15ClN4O/c1-8(15)14-18-11-6-16-5-4-12(11)19(14)7-13-17-9(2)10(3)20-13/h4-6,8H,7H2,1-3H3
InChIKeyPPJNCQJYUJZWDA-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.38
Rot. Bonds3

About 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole

2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (PubChem CID 106375889) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.

Molecular Properties

Compound Name2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
PubChem CID106375889
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
SMILESCc1nc(Cn2c(C(C)Cl)nc3cnccc32)oc1C
InChIInChI=1S/C14H15ClN4O/c1-8(15)14-18-11-6-16-5-4-12(11)19(14)7-13-17-9(2)10(3)20-13/h4-6,8H,7H2,1-3H3
InChIKeyPPJNCQJYUJZWDA-UHFFFAOYSA-N
XLogP3.38
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375819
5-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-2-methyl-1,3-thiazole
CID 79292805
2-(1-chloroethyl)-1-[(6-methyl-3-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292472
2-(1-chloroethyl)-1-[(6-methyl-2-pyridinyl)methyl]imidazo[4,5-c]pyridine
CID 79292047
2-(1-chloroethyl)-1-[(1,5-dimethylpyrazol-4-yl)methyl]imidazo[4,5-c]pyridine
CID 106036565
2-(1-chloroethyl)-1-[(2-ethylphenyl)methyl]imidazo[4,5-c]pyridine
CID 79274286
2-(1-chloroethyl)-1-(5-methylhexyl)imidazo[4,5-c]pyridine
CID 115326628
3-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylpropan-1-amine
CID 79292216
N-[2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]ethyl]-N-methylpropan-2-amine
CID 79292538
2-(1-chloroethyl)-1-(7-methyloctyl)imidazo[4,5-c]pyridine
CID 107817087
2-[[2-(1-chloroethyl)benzimidazol-1-yl]methyl]-5-methyl-1,3-oxazole
CID 114180807
2-[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]-N-methylacetamide
CID 79292930

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The IUPAC name of 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole (CID 106375889) is 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole.
What is the SMILES notation for 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The canonical SMILES for 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is Cc1nc(Cn2c(C(C)Cl)nc3cnccc32)oc1C.
What is the InChIKey of 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
The InChIKey is PPJNCQJYUJZWDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-8(15)14-18-11-6-16-5-4-12(11)19(14)7-13-17-9(2)10(3)20-13/h4-6,8H,7H2,1-3H3.
What are the key properties of 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole?
2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole has a molecular weight of 290.75 g/mol, XLogP of 3.38, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(1-chloroethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-4,5-dimethyl-1,3-oxazole is sourced from PubChem (CID 106375889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).