tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate

C16H22N4O3 — CID 175653793

IUPACtert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
SMILESCc1ccc2oc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2n1
InChIInChI=1S/C16H22N4O3/c1-11-5-6-12-13(17-11)18-14(22-12)19-7-9-20(10-8-19)15(21)23-16(2,3)4/h5-6H,7-10H2,1-4H3
InChIKeyRBMGXRQAXKZOQD-UHFFFAOYSA-N
MW318.38 g/mol
LogP2.59
Rot. Bonds1

About tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate

tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate (PubChem CID 175653793) has the molecular formula C16H22N4O3 and a molecular weight of 318.38 g/mol. Its IUPAC name is tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
PubChem CID175653793
Molecular FormulaC16H22N4O3
Molecular Weight318.38 g/mol
Exact Mass318.17
IUPAC Nametert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate
SMILESCc1ccc2oc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2n1
InChIInChI=1S/C16H22N4O3/c1-11-5-6-12-13(17-11)18-14(22-12)19-7-9-20(10-8-19)15(21)23-16(2,3)4/h5-6H,7-10H2,1-4H3
InChIKeyRBMGXRQAXKZOQD-UHFFFAOYSA-N
XLogP2.59
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.38
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(2,5-dimethylphenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 46270762
[4-(1-tert-butyl-1,2,4-triazol-3-yl)phenyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155192881
3-(4-methoxyphenyl)-1-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]propan-1-one
CID 163340048
(3-fluoro-4-iodophenyl)-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 170942934
[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]-(4-pyrrolidin-1-ylpiperidin-1-yl)methanone
CID 155491863
tert-butyl 4-[6-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]-2-pyridinyl]piperazine-1-carboxylate
CID 66693151
tert-butyl 4-(4-methylphenyl)piperazine-1-carboxylate;methane
CID 167653835
[3-(hydroxymethyl)piperidin-1-yl]-[1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperidin-4-yl]methanone
CID 154565637
tert-butyl 4-(2-methyl-1,3-benzoxazol-6-yl)piperazine-1-carboxylate
CID 20785686
[6-(4-tert-butylpyrazol-1-yl)-5-methyl-3-pyridinyl]-[4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazin-1-yl]methanone
CID 155193019
tritert-butyl 10-(4-methylsulfanylphenyl)-1,4,7,10-tetrazacyclododecane-1,4,7-tricarboxylate
CID 102191974
1-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)-N-(3-phenylprop-2-enyl)piperidine-4-carboxamide
CID 171150648

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate (CID 175653793) is tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate is Cc1ccc2oc(N3CCN(C(=O)OC(C)(C)C)CC3)nc2n1.
What is the InChIKey of tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate?
The InChIKey is RBMGXRQAXKZOQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22N4O3/c1-11-5-6-12-13(17-11)18-14(22-12)19-7-9-20(10-8-19)15(21)23-16(2,3)4/h5-6H,7-10H2,1-4H3.
What are the key properties of tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate?
tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate has a molecular weight of 318.38 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-(5-methyl-[1,3]oxazolo[4,5-b]pyridin-2-yl)piperazine-1-carboxylate is sourced from PubChem (CID 175653793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).