propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate

C16H21N3O3 — CID 133470631

IUPACpropan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
SMILESCc1noc(C)c1CCNc1ncccc1C(=O)OC(C)C
InChIInChI=1S/C16H21N3O3/c1-10(2)21-16(20)14-6-5-8-17-15(14)18-9-7-13-11(3)19-22-12(13)4/h5-6,8,10H,7,9H2,1-4H3,(H,17,18)
InChIKeySRBSCASSYNPSBM-UHFFFAOYSA-N
MW303.36 g/mol
LogP2.91
Rot. Bonds6

About propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate

propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate (PubChem CID 133470631) has the molecular formula C16H21N3O3 and a molecular weight of 303.36 g/mol. Its IUPAC name is propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate.

Molecular Properties

Compound Namepropan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
PubChem CID133470631
Molecular FormulaC16H21N3O3
Molecular Weight303.36 g/mol
Exact Mass303.16
IUPAC Namepropan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
SMILESCc1noc(C)c1CCNc1ncccc1C(=O)OC(C)C
InChIInChI=1S/C16H21N3O3/c1-10(2)21-16(20)14-6-5-8-17-15(14)18-9-7-13-11(3)19-22-12(13)4/h5-6,8,10H,7,9H2,1-4H3,(H,17,18)
InChIKeySRBSCASSYNPSBM-UHFFFAOYSA-N
XLogP2.91
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.36
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Launch Full Analysis

Related Compounds

propan-2-yl 2-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]pyridine-3-carboxylate
CID 154266442
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(trifluoromethyl)pyridin-2-amine
CID 133347534
2,3-dihydroindol-1-yl-[2-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propylamino]-3-pyridinyl]methanone
CID 133347562
[(2S)-1-(2-methylpropylamino)-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 9306863
[(2R)-1-oxo-1-(propylamino)propan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 9306869
ethyl 2-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate
CID 79233496
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-2-(methylamino)pyridine-3-carboxamide;2,2,2-trifluoroacetic acid
CID 154884493
[2-oxo-2-(4-propan-2-yloxycarbonylanilino)ethyl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 31751958
ethyl 2-(4-hydroxypentylamino)pyridine-3-carboxylate
CID 107269211
N-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propyl]-3-(3-methyl-1,2,4-oxadiazol-5-yl)pyridin-2-amine
CID 133347668
[(2R)-1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl] 2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]pyridine-3-carboxylate
CID 9306877
dipropan-2-yl pyridine-2,3-dicarboxylate
CID 14745930

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate?
The IUPAC name of propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate (CID 133470631) is propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate.
What is the SMILES notation for propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate?
The canonical SMILES for propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate is Cc1noc(C)c1CCNc1ncccc1C(=O)OC(C)C.
What is the InChIKey of propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate?
The InChIKey is SRBSCASSYNPSBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O3/c1-10(2)21-16(20)14-6-5-8-17-15(14)18-9-7-13-11(3)19-22-12(13)4/h5-6,8,10H,7,9H2,1-4H3,(H,17,18).
What are the key properties of propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate?
propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate has a molecular weight of 303.36 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethylamino]pyridine-3-carboxylate is sourced from PubChem (CID 133470631), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).