ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate

C20H22N4O4S — CID 19591077

IUPACethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(CC)C(=O)c2cc(C3CC3)nc3onc(C)c23)nc1C
InChIInChI=1S/C20H22N4O4S/c1-5-24(20-21-11(4)16(29-20)19(26)27-6-2)18(25)13-9-14(12-7-8-12)22-17-15(13)10(3)23-28-17/h9,12H,5-8H2,1-4H3
InChIKeyHTLGLLFVXWZUFV-UHFFFAOYSA-N
MW414.49 g/mol
LogP4.02
Rot. Bonds6

About ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate

ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate (PubChem CID 19591077) has the molecular formula C20H22N4O4S and a molecular weight of 414.49 g/mol. Its IUPAC name is ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
PubChem CID19591077
Molecular FormulaC20H22N4O4S
Molecular Weight414.49 g/mol
Exact Mass414.14
IUPAC Nameethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate
SMILESCCOC(=O)c1sc(N(CC)C(=O)c2cc(C3CC3)nc3onc(C)c23)nc1C
InChIInChI=1S/C20H22N4O4S/c1-5-24(20-21-11(4)16(29-20)19(26)27-6-2)18(25)13-9-14(12-7-8-12)22-17-15(13)10(3)23-28-17/h9,12H,5-8H2,1-4H3
InChIKeyHTLGLLFVXWZUFV-UHFFFAOYSA-N
XLogP4.02
TPSA98.42 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The IUPAC name of ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate (CID 19591077) is ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate.
What is the SMILES notation for ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The canonical SMILES for ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate is CCOC(=O)c1sc(N(CC)C(=O)c2cc(C3CC3)nc3onc(C)c23)nc1C.
What is the InChIKey of ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
The InChIKey is HTLGLLFVXWZUFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S/c1-5-24(20-21-11(4)16(29-20)19(26)27-6-2)18(25)13-9-14(12-7-8-12)22-17-15(13)10(3)23-28-17/h9,12H,5-8H2,1-4H3.
What are the key properties of ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate?
ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate has a molecular weight of 414.49 g/mol, XLogP of 4.02, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-ethylamino]-4-methyl-1,3-thiazole-5-carboxylate is sourced from PubChem (CID 19591077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).