(3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C14H13N3O4 — CID 18132973

IUPAC(3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(COC(=O)c2cc(C)nc3onc(C)c23)on1
InChIInChI=1S/C14H13N3O4/c1-7-5-11(12-9(3)17-21-13(12)15-7)14(18)19-6-10-4-8(2)16-20-10/h4-5H,6H2,1-3H3
InChIKeyLAIPZTYQPNLSBH-UHFFFAOYSA-N
MW287.28 g/mol
LogP2.49
Rot. Bonds3

About (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

(3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 18132973) has the molecular formula C14H13N3O4 and a molecular weight of 287.28 g/mol. Its IUPAC name is (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name(3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID18132973
Molecular FormulaC14H13N3O4
Molecular Weight287.28 g/mol
Exact Mass287.09
IUPAC Name(3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1cc(COC(=O)c2cc(C)nc3onc(C)c23)on1
InChIInChI=1S/C14H13N3O4/c1-7-5-11(12-9(3)17-21-13(12)15-7)14(18)19-6-10-4-8(2)16-20-10/h4-5H,6H2,1-3H3
InChIKeyLAIPZTYQPNLSBH-UHFFFAOYSA-N
XLogP2.49
TPSA91.25 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.28
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

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Related Compounds

(4-methoxycarbonyl-5-methylfuran-2-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30096308
(2-oxo-2-propan-2-yloxyethyl) 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 35732436
(3-methyl-1,2-oxazol-5-yl)methyl 2-chloro-4,6-dimethylpyridine-3-carboxylate
CID 9477863
N-(5-hydroxypentyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 107318381
ethyl 4-(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)piperazine-1-carboxylate
CID 36860748
[2-(3-fluoro-4-methoxyphenyl)-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132967
N-tert-butyl-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 51302068
[2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 30765095
N-(2,6-difluorophenyl)-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 52902662
3-[(3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 64670553
N-[3-(cyclopropylmethoxy)propyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 18133288
(3-methyl-1,2-oxazol-5-yl)methyl 2-ethylsulfinylbenzoate
CID 75524884

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 18132973) is (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1cc(COC(=O)c2cc(C)nc3onc(C)c23)on1.
What is the InChIKey of (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is LAIPZTYQPNLSBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O4/c1-7-5-11(12-9(3)17-21-13(12)15-7)14(18)19-6-10-4-8(2)16-20-10/h4-5H,6H2,1-3H3.
What are the key properties of (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
(3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 287.28 g/mol, XLogP of 2.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1,2-oxazol-5-yl)methyl 3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 18132973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).