4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid

C19H25N3O4 — CID 119357130

IUPAC4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)NC(C)(C)CCC(=O)O)c12
InChIInChI=1S/C19H25N3O4/c1-4-5-13-16-12(17(25)21-19(2,3)9-8-15(23)24)10-14(11-6-7-11)20-18(16)26-22-13/h10-11H,4-9H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyYTKQORYNPUNAFG-UHFFFAOYSA-N
MW359.43 g/mol
LogP3.43
Rot. Bonds8

About 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid

4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid (PubChem CID 119357130) has the molecular formula C19H25N3O4 and a molecular weight of 359.43 g/mol. Its IUPAC name is 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid.

Molecular Properties

Compound Name4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
PubChem CID119357130
Molecular FormulaC19H25N3O4
Molecular Weight359.43 g/mol
Exact Mass359.18
IUPAC Name4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid
SMILESCCCc1noc2nc(C3CC3)cc(C(=O)NC(C)(C)CCC(=O)O)c12
InChIInChI=1S/C19H25N3O4/c1-4-5-13-16-12(17(25)21-19(2,3)9-8-15(23)24)10-14(11-6-7-11)20-18(16)26-22-13/h10-11H,4-9H2,1-3H3,(H,21,25)(H,23,24)
InChIKeyYTKQORYNPUNAFG-UHFFFAOYSA-N
XLogP3.43
TPSA105.32 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.43
LogP ≤ 53.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid with MolForge

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Related Compounds

N-(1-amino-2,3-dimethylbutan-2-yl)-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119607900
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]propanoic acid
CID 119348501
(2R)-2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-3-methylbutanoic acid
CID 119368132
2-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)-methylamino]acetic acid
CID 119346057
N-[2-(aminomethyl)cyclopentyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119603784
6-cyclopropyl-N-[2-(methanesulfonamido)ethyl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 86812538
6-cyclopropyl-3-propyl-N-(pyrrolidin-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119513187
N-[2-(aminomethyl)cyclohexyl]-6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 119611474
6-cyclopropyl-N-(3-methylpiperidin-4-yl)-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide;hydrochloride
CID 120553846
N-(1-amino-2-methylpropan-2-yl)-6-cyclopropyl-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119524902
6-cyclopropyl-N-[(3S)-2-oxoazepan-3-yl]-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 94112279
6-cyclopropyl-3-(2,2-dimethylpropyl)-N-[2-(ethylamino)ethyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 119504737

Frequently Asked Questions

What is the IUPAC name of 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The IUPAC name of 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid (CID 119357130) is 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid.
What is the SMILES notation for 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The canonical SMILES for 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid is CCCc1noc2nc(C3CC3)cc(C(=O)NC(C)(C)CCC(=O)O)c12.
What is the InChIKey of 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
The InChIKey is YTKQORYNPUNAFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O4/c1-4-5-13-16-12(17(25)21-19(2,3)9-8-15(23)24)10-14(11-6-7-11)20-18(16)26-22-13/h10-11H,4-9H2,1-3H3,(H,21,25)(H,23,24).
What are the key properties of 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid?
4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid has a molecular weight of 359.43 g/mol, XLogP of 3.43, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(6-cyclopropyl-3-propyl-[1,2]oxazolo[5,4-b]pyridine-4-carbonyl)amino]-4-methylpentanoic acid is sourced from PubChem (CID 119357130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).