(3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone

C18H21N3O3 — CID 126816278

IUPAC(3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1cnccc1OC1CCN(C(=O)c2conc2C2CC2)CC1
InChIInChI=1S/C18H21N3O3/c1-12-10-19-7-4-16(12)24-14-5-8-21(9-6-14)18(22)15-11-23-20-17(15)13-2-3-13/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3
InChIKeyHDVDXXATPJNYMN-UHFFFAOYSA-N
MW327.38 g/mol
LogP2.94
Rot. Bonds4

About (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone

(3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone (PubChem CID 126816278) has the molecular formula C18H21N3O3 and a molecular weight of 327.38 g/mol. Its IUPAC name is (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone
PubChem CID126816278
Molecular FormulaC18H21N3O3
Molecular Weight327.38 g/mol
Exact Mass327.16
IUPAC Name(3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone
SMILESCc1cnccc1OC1CCN(C(=O)c2conc2C2CC2)CC1
InChIInChI=1S/C18H21N3O3/c1-12-10-19-7-4-16(12)24-14-5-8-21(9-6-14)18(22)15-11-23-20-17(15)13-2-3-13/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3
InChIKeyHDVDXXATPJNYMN-UHFFFAOYSA-N
XLogP2.94
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.38
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The IUPAC name of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone (CID 126816278) is (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone.
What is the SMILES notation for (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The canonical SMILES for (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone is Cc1cnccc1OC1CCN(C(=O)c2conc2C2CC2)CC1.
What is the InChIKey of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone?
The InChIKey is HDVDXXATPJNYMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3/c1-12-10-19-7-4-16(12)24-14-5-8-21(9-6-14)18(22)15-11-23-20-17(15)13-2-3-13/h4,7,10-11,13-14H,2-3,5-6,8-9H2,1H3.
What are the key properties of (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone?
(3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone has a molecular weight of 327.38 g/mol, XLogP of 2.94, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-cyclopropyl-1,2-oxazol-4-yl)-[4-[(3-methyl-4-pyridinyl)oxy]piperidin-1-yl]methanone is sourced from PubChem (CID 126816278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).