(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

C15H20N4O3 — CID 58408392

IUPAC(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCc1cc(COC(=O)N2CCc3[nH]cnc3C2C(C)C)no1
InChIInChI=1S/C15H20N4O3/c1-9(2)14-13-12(16-8-17-13)4-5-19(14)15(20)21-7-11-6-10(3)22-18-11/h6,8-9,14H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyBZLMDWBBPQZXJD-UHFFFAOYSA-N
MW304.35 g/mol
LogP2.60
Rot. Bonds3

About (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate

(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (PubChem CID 58408392) has the molecular formula C15H20N4O3 and a molecular weight of 304.35 g/mol. Its IUPAC name is (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.

Molecular Properties

Compound Name(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
PubChem CID58408392
Molecular FormulaC15H20N4O3
Molecular Weight304.35 g/mol
Exact Mass304.15
IUPAC Name(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate
SMILESCc1cc(COC(=O)N2CCc3[nH]cnc3C2C(C)C)no1
InChIInChI=1S/C15H20N4O3/c1-9(2)14-13-12(16-8-17-13)4-5-19(14)15(20)21-7-11-6-10(3)22-18-11/h6,8-9,14H,4-5,7H2,1-3H3,(H,16,17)
InChIKeyBZLMDWBBPQZXJD-UHFFFAOYSA-N
XLogP2.60
TPSA84.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.35
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The IUPAC name of (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate (CID 58408392) is (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate.
What is the SMILES notation for (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The canonical SMILES for (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is Cc1cc(COC(=O)N2CCc3[nH]cnc3C2C(C)C)no1.
What is the InChIKey of (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
The InChIKey is BZLMDWBBPQZXJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O3/c1-9(2)14-13-12(16-8-17-13)4-5-19(14)15(20)21-7-11-6-10(3)22-18-11/h6,8-9,14H,4-5,7H2,1-3H3,(H,16,17).
What are the key properties of (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate?
(5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate has a molecular weight of 304.35 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methyl-1,2-oxazol-3-yl)methyl 4-propan-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxylate is sourced from PubChem (CID 58408392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).