1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid

C14H13N5O3 — CID 53353079

IUPAC1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESCC(C)c1noc(-c2ccnc(-n3cnc(C(=O)O)c3)c2)n1
InChIInChI=1S/C14H13N5O3/c1-8(2)12-17-13(22-18-12)9-3-4-15-11(5-9)19-6-10(14(20)21)16-7-19/h3-8H,1-2H3,(H,20,21)
InChIKeyYWTMDGAOEKQZPL-UHFFFAOYSA-N
MW299.29 g/mol
LogP2.14
Rot. Bonds4

About 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid

1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid (PubChem CID 53353079) has the molecular formula C14H13N5O3 and a molecular weight of 299.29 g/mol. Its IUPAC name is 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
PubChem CID53353079
Molecular FormulaC14H13N5O3
Molecular Weight299.29 g/mol
Exact Mass299.10
IUPAC Name1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid
SMILESCC(C)c1noc(-c2ccnc(-n3cnc(C(=O)O)c3)c2)n1
InChIInChI=1S/C14H13N5O3/c1-8(2)12-17-13(22-18-12)9-3-4-15-11(5-9)19-6-10(14(20)21)16-7-19/h3-8H,1-2H3,(H,20,21)
InChIKeyYWTMDGAOEKQZPL-UHFFFAOYSA-N
XLogP2.14
TPSA106.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.29
LogP ≤ 52.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The IUPAC name of 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid (CID 53353079) is 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid.
What is the SMILES notation for 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The canonical SMILES for 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid is CC(C)c1noc(-c2ccnc(-n3cnc(C(=O)O)c3)c2)n1.
What is the InChIKey of 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
The InChIKey is YWTMDGAOEKQZPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N5O3/c1-8(2)12-17-13(22-18-12)9-3-4-15-11(5-9)19-6-10(14(20)21)16-7-19/h3-8H,1-2H3,(H,20,21).
What are the key properties of 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid?
1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid has a molecular weight of 299.29 g/mol, XLogP of 2.14, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylic acid is sourced from PubChem (CID 53353079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).