methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate

C14H13N3O3 — CID 142565317

IUPACmethyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3c(C)noc3C)cnc2c1
InChIInChI=1S/C14H13N3O3/c1-8-13(9(2)20-16-8)11-7-15-12-6-10(14(18)19-3)4-5-17(11)12/h4-7H,1-3H3
InChIKeyOKYFKDSRKVRCRH-UHFFFAOYSA-N
MW271.28 g/mol
LogP2.39
Rot. Bonds2

About methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate

methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate (PubChem CID 142565317) has the molecular formula C14H13N3O3 and a molecular weight of 271.28 g/mol. Its IUPAC name is methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate.

Molecular Properties

Compound Namemethyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
PubChem CID142565317
Molecular FormulaC14H13N3O3
Molecular Weight271.28 g/mol
Exact Mass271.10
IUPAC Namemethyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate
SMILESCOC(=O)c1ccn2c(-c3c(C)noc3C)cnc2c1
InChIInChI=1S/C14H13N3O3/c1-8-13(9(2)20-16-8)11-7-15-12-6-10(14(18)19-3)4-5-17(11)12/h4-7H,1-3H3
InChIKeyOKYFKDSRKVRCRH-UHFFFAOYSA-N
XLogP2.39
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.28
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide chloride
CID 153534231
2-(5-Methyl-4-isoxazolyl)imidazo[1,2-a]pyridine
CID 1488777
7-Methyl-2-(5-methyl-4-isoxazolyl)imidazo[1,2-a]pyridine
CID 1488778
Methyl 3-(tert-butylamino)-2-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]imidazo[1,2-a]pyridine-6-carboxylate
CID 117841267
4-(4-Imidazol-1-ylpyrimidin-5-yl)-3,5-dimethyl-1,2-oxazole
CID 3233854
5-(6-Ethyl-7-methoxy-5-methylimidazo[1,2-a]pyrimidin-2-yl)-3-methyl-1,2-oxazole
CID 14873550
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[3-[4-(methylamino)pyridin-1-ium-1-yl]propyl]imidazo[1,2-a]pyridine-7-carboxamide formate
CID 153534232
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[3-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide formate
CID 153534246
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-(4-ethylpyridin-1-ium-1-yl)ethyl]imidazo[1,2-a]pyridine-7-carboxamide formate
CID 153534248
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[2-methyl-4-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide formate
CID 153534299
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[2-[4-(methylamino)pyridin-1-ium-1-yl]ethyl]imidazo[1,2-a]pyridine-7-carboxamide formate
CID 153534311
N-[2-[4-(dimethylamino)pyridin-1-ium-1-yl]ethyl]-3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxamide formate
CID 153534314

Frequently Asked Questions

What is the IUPAC name of methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The IUPAC name of methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate (CID 142565317) is methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate.
What is the SMILES notation for methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The canonical SMILES for methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate is COC(=O)c1ccn2c(-c3c(C)noc3C)cnc2c1.
What is the InChIKey of methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?
The InChIKey is OKYFKDSRKVRCRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3/c1-8-13(9(2)20-16-8)11-7-15-12-6-10(14(18)19-3)4-5-17(11)12/h4-7H,1-3H3.
What are the key properties of methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate?
methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate has a molecular weight of 271.28 g/mol, XLogP of 2.39, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(3,5-dimethyl-1,2-oxazol-4-yl)imidazo[1,2-a]pyridine-7-carboxylate is sourced from PubChem (CID 142565317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).