[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

C18H22N4O5 — CID 86776584

IUPAC[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1noc2nc(C3CC3)cc(C(=O)OCC(=O)NC(=O)NCC(C)C)c12
InChIInChI=1S/C18H22N4O5/c1-9(2)7-19-18(25)21-14(23)8-26-17(24)12-6-13(11-4-5-11)20-16-15(12)10(3)22-27-16/h6,9,11H,4-5,7-8H2,1-3H3,(H2,19,21,23,25)
InChIKeyQCPUFPAQJPOHGS-UHFFFAOYSA-N
MW374.40 g/mol
LogP2.05
Rot. Bonds6

About [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate

[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (PubChem CID 86776584) has the molecular formula C18H22N4O5 and a molecular weight of 374.40 g/mol. Its IUPAC name is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.

Molecular Properties

Compound Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
PubChem CID86776584
Molecular FormulaC18H22N4O5
Molecular Weight374.40 g/mol
Exact Mass374.16
IUPAC Name[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
SMILESCc1noc2nc(C3CC3)cc(C(=O)OCC(=O)NC(=O)NCC(C)C)c12
InChIInChI=1S/C18H22N4O5/c1-9(2)7-19-18(25)21-14(23)8-26-17(24)12-6-13(11-4-5-11)20-16-15(12)10(3)22-27-16/h6,9,11H,4-5,7-8H2,1-3H3,(H2,19,21,23,25)
InChIKeyQCPUFPAQJPOHGS-UHFFFAOYSA-N
XLogP2.05
TPSA123.42 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.40
LogP ≤ 52.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[2-(3,5-difluoroanilino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 86776594
[2-(3-chloroanilino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46680882
[2-oxo-2-[1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethylamino]ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 42937419
N-(3-amino-2-methylpropyl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119997760
[2-oxo-2-(4-phenylanilino)ethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 46681326
2-benzoyloxyethyl 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 43056538
6-cyclopropyl-3-methyl-N-[2-(methylamino)propyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120830455
methyl 2-[(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoate
CID 51302326
6-cyclopropyl-N-[(2R)-2-(ethylamino)propyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 120652981
2-[butan-2-yl-(6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]acetic acid
CID 119954747
[2-(2,4-dimethoxyphenyl)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate
CID 18132940
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The IUPAC name of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate (CID 86776584) is [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate.
What is the SMILES notation for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The canonical SMILES for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is Cc1noc2nc(C3CC3)cc(C(=O)OCC(=O)NC(=O)NCC(C)C)c12.
What is the InChIKey of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
The InChIKey is QCPUFPAQJPOHGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O5/c1-9(2)7-19-18(25)21-14(23)8-26-17(24)12-6-13(11-4-5-11)20-16-15(12)10(3)22-27-16/h6,9,11H,4-5,7-8H2,1-3H3,(H2,19,21,23,25).
What are the key properties of [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate?
[2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate has a molecular weight of 374.40 g/mol, XLogP of 2.05, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxylate is sourced from PubChem (CID 86776584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).