(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

C22H21N3O3 — CID 22551046

IUPAC(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1ccc2c(c1)-c1onc(C(=O)N3CCCCC3c3cccnc3)c1CO2
InChIInChI=1S/C22H21N3O3/c1-14-7-8-19-16(11-14)21-17(13-27-19)20(24-28-21)22(26)25-10-3-2-6-18(25)15-5-4-9-23-12-15/h4-5,7-9,11-12,18H,2-3,6,10,13H2,1H3
InChIKeyIVCXFKFEMIEJHP-UHFFFAOYSA-N
MW375.43 g/mol
LogP4.30
Rot. Bonds2

About (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone

(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (PubChem CID 22551046) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
PubChem CID22551046
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone
SMILESCc1ccc2c(c1)-c1onc(C(=O)N3CCCCC3c3cccnc3)c1CO2
InChIInChI=1S/C22H21N3O3/c1-14-7-8-19-16(11-14)21-17(13-27-19)20(24-28-21)22(26)25-10-3-2-6-18(25)15-5-4-9-23-12-15/h4-5,7-9,11-12,18H,2-3,6,10,13H2,1H3
InChIKeyIVCXFKFEMIEJHP-UHFFFAOYSA-N
XLogP4.30
TPSA68.46 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The IUPAC name of (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone (CID 22551046) is (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone.
What is the SMILES notation for (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The canonical SMILES for (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is Cc1ccc2c(c1)-c1onc(C(=O)N3CCCCC3c3cccnc3)c1CO2.
What is the InChIKey of (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
The InChIKey is IVCXFKFEMIEJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-14-7-8-19-16(11-14)21-17(13-27-19)20(24-28-21)22(26)25-10-3-2-6-18(25)15-5-4-9-23-12-15/h4-5,7-9,11-12,18H,2-3,6,10,13H2,1H3.
What are the key properties of (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone?
(8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone has a molecular weight of 375.43 g/mol, XLogP of 4.30, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (8-methyl-4H-chromeno[3,4-d][1,2]oxazol-3-yl)-(2-pyridin-3-ylpiperidin-1-yl)methanone is sourced from PubChem (CID 22551046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).