(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

C16H18N4O4 — CID 24649755

IUPAC(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCC(C)c1noc(COC(=O)c2cnc3onc(C(C)C)c3c2)n1
InChIInChI=1S/C16H18N4O4/c1-8(2)13-11-5-10(6-17-15(11)24-19-13)16(21)22-7-12-18-14(9(3)4)20-23-12/h5-6,8-9H,7H2,1-4H3
InChIKeyACHWOOZOGGWGQZ-UHFFFAOYSA-N
MW330.34 g/mol
LogP3.21
Rot. Bonds5

About (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 24649755) has the molecular formula C16H18N4O4 and a molecular weight of 330.34 g/mol. Its IUPAC name is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
PubChem CID24649755
Molecular FormulaC16H18N4O4
Molecular Weight330.34 g/mol
Exact Mass330.13
IUPAC Name(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCC(C)c1noc(COC(=O)c2cnc3onc(C(C)C)c3c2)n1
InChIInChI=1S/C16H18N4O4/c1-8(2)13-11-5-10(6-17-15(11)24-19-13)16(21)22-7-12-18-14(9(3)4)20-23-12/h5-6,8-9H,7H2,1-4H3
InChIKeyACHWOOZOGGWGQZ-UHFFFAOYSA-N
XLogP3.21
TPSA104.14 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.34
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-hydroxybenzoate
CID 55539427
[4-(3,5-dimethylpyrazol-1-yl)phenyl]methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 43067948
ethyl 4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzoate
CID 60721315
N-(3-methylbutan-2-yl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 42931383
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 4-[[(2-methylpropan-2-yl)oxycarbonylamino]methyl]benzoate
CID 46528722
4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]benzamide
CID 30591348
N-(3-butoxypropyl)-3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 30103284
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzoate
CID 55539579
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-methyl-6-(4-methylphenyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 55539950
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-(4-methylbenzoyl)benzoate
CID 46528753
1-[4-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]ethanone
CID 47020468
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 2-benzyl-1,3-dioxoisoindole-5-carboxylate
CID 30591293

Frequently Asked Questions

What is the IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (CID 24649755) is (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is CC(C)c1noc(COC(=O)c2cnc3onc(C(C)C)c3c2)n1.
What is the InChIKey of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is ACHWOOZOGGWGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4/c1-8(2)13-11-5-10(6-17-15(11)24-19-13)16(21)22-7-12-18-14(9(3)4)20-23-12/h5-6,8-9H,7H2,1-4H3.
What are the key properties of (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 330.34 g/mol, XLogP of 3.21, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-propan-2-yl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 24649755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).