methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate

C14H13N5O3 — CID 97032631

IUPACmethyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate
SMILESCCc1noc(-c2ccc(-n3cnc(C(=O)OC)c3)nc2)n1
InChIInChI=1S/C14H13N5O3/c1-3-11-17-13(22-18-11)9-4-5-12(15-6-9)19-7-10(16-8-19)14(20)21-2/h4-8H,3H2,1-2H3
InChIKeyYGWXPFXWQNEQMO-UHFFFAOYSA-N
MW299.29 g/mol
LogP1.67
Rot. Bonds4

About methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate

methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate (PubChem CID 97032631) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate
PubChem CID97032631
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Namemethyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate
SMILESCCc1noc(-c2ccc(-n3cnc(C(=O)OC)c3)nc2)n1
InChIInChI=1S/C14H13N5O3/c1-3-11-17-13(22-18-11)9-4-5-12(15-6-9)19-7-10(16-8-19)14(20)21-2/h4-8H,3H2,1-2H3
InChIKeyYGWXPFXWQNEQMO-UHFFFAOYSA-N
XLogP1.67
TPSA95.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178816
N-cyclohexyl-1-[5-(3-propyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178836
3-ethyl-5-(6-imidazol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 75528009
1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-propan-2-ylimidazole-4-carboxamide
CID 53178659
N-[(4-methoxyphenyl)methyl]-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489805
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-phenylethyl)imidazole-4-carboxamide
CID 53178803
1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-methylpropyl)imidazole-4-carboxamide
CID 53178866
[1-[5-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazol-4-yl]-(4-ethylpiperazin-1-yl)methanone
CID 53178882
3-(2-methoxyethyl)-5-(6-pyrrol-1-yl-3-pyridinyl)-1,2,4-oxadiazole
CID 71974141
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490001
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490013
N-[(3-bromophenyl)methyl]-1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178799

Frequently Asked Questions

What is the IUPAC name of methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate?
The IUPAC name of methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate (CID 97032631) is methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate.
What is the SMILES notation for methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate?
The canonical SMILES for methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate is CCc1noc(-c2ccc(-n3cnc(C(=O)OC)c3)nc2)n1.
What is the InChIKey of methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate?
The InChIKey is YGWXPFXWQNEQMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-3-11-17-13(22-18-11)9-4-5-12(15-6-9)19-7-10(16-8-19)14(20)21-2/h4-8H,3H2,1-2H3.
What are the key properties of methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate?
methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate has a molecular weight of 299.29 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate is sourced from PubChem (CID 97032631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).