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

C19H16N2O4 — CID 86953794

IUPAC(3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCCc1noc2ncc(C(=O)OCc3oc4ccccc4c3C)cc12
InChIInChI=1S/C19H16N2O4/c1-3-15-14-8-12(9-20-18(14)25-21-15)19(22)23-10-17-11(2)13-6-4-5-7-16(13)24-17/h4-9H,3,10H2,1-2H3
InChIKeyPPLWZZSDZUKEII-UHFFFAOYSA-N
MW336.35 g/mol
LogP4.20
Rot. Bonds4

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

(3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (PubChem CID 86953794) has the molecular formula C19H16N2O4 and a molecular weight of 336.35 g/mol. Its IUPAC name is (3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.

Molecular Properties

Compound Name(3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
PubChem CID86953794
Molecular FormulaC19H16N2O4
Molecular Weight336.35 g/mol
Exact Mass336.11
IUPAC Name(3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
SMILESCCc1noc2ncc(C(=O)OCc3oc4ccccc4c3C)cc12
InChIInChI=1S/C19H16N2O4/c1-3-15-14-8-12(9-20-18(14)25-21-15)19(22)23-10-17-11(2)13-6-4-5-7-16(13)24-17/h4-9H,3,10H2,1-2H3
InChIKeyPPLWZZSDZUKEII-UHFFFAOYSA-N
XLogP4.20
TPSA78.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.35
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-aminoethyl)-3-ethyl-N-(2-phenylethyl)-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide;hydrochloride
CID 120885951
N-(2-amino-2-methylpropyl)-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119626084
2-[(3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carbonyl)amino]acetic acid
CID 119350359
(3-methyl-1-benzofuran-2-yl)methyl 4-oxo-3-propan-2-ylphthalazine-1-carboxylate
CID 86953820
(5-chlorothiophen-2-yl)methyl 3-methyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 47398743
[(2R,4aR,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalen-2-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 124858515
3-ethyl-N-[(1R,2S)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 136580689
(3-ethyl-[1,2]oxazolo[5,4-b]pyridin-5-yl)-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 146085166
N-[2-[(3,4-dichlorobenzoyl)amino]ethyl]-3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 87043821
[(1R,3S)-1-ethoxyspiro[3.3]heptan-3-yl] 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate
CID 99628964
3-ethyl-N-[3-(ethylaminomethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
CID 119438001
(3-methyl-1-benzofuran-2-yl)methyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate
CID 86953790

Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The IUPAC name of (3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate (CID 86953794) is (3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate.
What is the SMILES notation for (3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The canonical SMILES for (3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is CCc1noc2ncc(C(=O)OCc3oc4ccccc4c3C)cc12.
What is the InChIKey of (3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
The InChIKey is PPLWZZSDZUKEII-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O4/c1-3-15-14-8-12(9-20-18(14)25-21-15)19(22)23-10-17-11(2)13-6-4-5-7-16(13)24-17/h4-9H,3,10H2,1-2H3.
What are the key properties of (3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate?
(3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate has a molecular weight of 336.35 g/mol, XLogP of 4.20, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-benzofuran-2-yl)methyl 3-ethyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylate is sourced from PubChem (CID 86953794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).