methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate

C18H22N4O4 — CID 72845485

IUPACmethyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N(C)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C18H22N4O4/c1-21(17(23)16-7-3-4-9-22(16)18(24)25-2)12-14-10-15(20-26-14)13-6-5-8-19-11-13/h5-6,8,10-11,16H,3-4,7,9,12H2,1-2H3
InChIKeyCNEKFFZQTCOUNY-UHFFFAOYSA-N
MW358.40 g/mol
LogP2.32
Rot. Bonds4

About methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate

methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate (PubChem CID 72845485) has the molecular formula C18H22N4O4 and a molecular weight of 358.40 g/mol. Its IUPAC name is methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
PubChem CID72845485
Molecular FormulaC18H22N4O4
Molecular Weight358.40 g/mol
Exact Mass358.16
IUPAC Namemethyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate
SMILESCOC(=O)N1CCCCC1C(=O)N(C)Cc1cc(-c2cccnc2)no1
InChIInChI=1S/C18H22N4O4/c1-21(17(23)16-7-3-4-9-22(16)18(24)25-2)12-14-10-15(20-26-14)13-6-5-8-19-11-13/h5-6,8,10-11,16H,3-4,7,9,12H2,1-2H3
InChIKeyCNEKFFZQTCOUNY-UHFFFAOYSA-N
XLogP2.32
TPSA88.77 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.40
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate?
The IUPAC name of methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate (CID 72845485) is methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate.
What is the SMILES notation for methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate?
The canonical SMILES for methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate is COC(=O)N1CCCCC1C(=O)N(C)Cc1cc(-c2cccnc2)no1.
What is the InChIKey of methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate?
The InChIKey is CNEKFFZQTCOUNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O4/c1-21(17(23)16-7-3-4-9-22(16)18(24)25-2)12-14-10-15(20-26-14)13-6-5-8-19-11-13/h5-6,8,10-11,16H,3-4,7,9,12H2,1-2H3.
What are the key properties of methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate?
methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate has a molecular weight of 358.40 g/mol, XLogP of 2.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[methyl-[(3-pyridin-3-yl-1,2-oxazol-5-yl)methyl]carbamoyl]piperidine-1-carboxylate is sourced from PubChem (CID 72845485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).