tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

C13H18N2O3 — CID 68876762

IUPACtert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2ncco2)CC1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-7-4-10(5-8-15)11-14-6-9-17-11/h4,6,9H,5,7-8H2,1-3H3
InChIKeyFFFHLNXRDMBFIE-UHFFFAOYSA-N
MW250.30 g/mol
LogP2.70
Rot. Bonds1

About tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate

tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (PubChem CID 68876762) has the molecular formula C13H18N2O3 and a molecular weight of 250.30 g/mol. Its IUPAC name is tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
PubChem CID68876762
Molecular FormulaC13H18N2O3
Molecular Weight250.30 g/mol
Exact Mass250.13
IUPAC Nametert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate
SMILESCC(C)(C)OC(=O)N1CC=C(c2ncco2)CC1
InChIInChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-7-4-10(5-8-15)11-14-6-9-17-11/h4,6,9H,5,7-8H2,1-3H3
InChIKeyFFFHLNXRDMBFIE-UHFFFAOYSA-N
XLogP2.70
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The IUPAC name of tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate (CID 68876762) is tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is CC(C)(C)OC(=O)N1CC=C(c2ncco2)CC1.
What is the InChIKey of tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
The InChIKey is FFFHLNXRDMBFIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3/c1-13(2,3)18-12(16)15-7-4-10(5-8-15)11-14-6-9-17-11/h4,6,9H,5,7-8H2,1-3H3.
What are the key properties of tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate?
tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate has a molecular weight of 250.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(1,3-oxazol-2-yl)-3,6-dihydro-2H-pyridine-1-carboxylate is sourced from PubChem (CID 68876762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).