(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone

C25H26N4O2 — CID 44522314

IUPAC(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(c2[nH]c3c(C)cccc3c2-c2ccncc2)C1
InChIInChI=1S/C25H26N4O2/c1-15-6-4-8-20-22(18-9-11-26-12-10-18)24(27-23(15)20)19-7-5-13-29(14-19)25(30)21-16(2)28-31-17(21)3/h4,6,8-12,19,27H,5,7,13-14H2,1-3H3
InChIKeyKFRDUIWWNBYMBF-UHFFFAOYSA-N
MW414.51 g/mol
LogP5.16
Rot. Bonds3

About (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone

(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone (PubChem CID 44522314) has the molecular formula C25H26N4O2 and a molecular weight of 414.51 g/mol. Its IUPAC name is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
PubChem CID44522314
Molecular FormulaC25H26N4O2
Molecular Weight414.51 g/mol
Exact Mass414.21
IUPAC Name(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone
SMILESCc1noc(C)c1C(=O)N1CCCC(c2[nH]c3c(C)cccc3c2-c2ccncc2)C1
InChIInChI=1S/C25H26N4O2/c1-15-6-4-8-20-22(18-9-11-26-12-10-18)24(27-23(15)20)19-7-5-13-29(14-19)25(30)21-16(2)28-31-17(21)3/h4,6,8-12,19,27H,5,7,13-14H2,1-3H3
InChIKeyKFRDUIWWNBYMBF-UHFFFAOYSA-N
XLogP5.16
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.51
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone?
The IUPAC name of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone (CID 44522314) is (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone.
What is the SMILES notation for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone?
The canonical SMILES for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone is Cc1noc(C)c1C(=O)N1CCCC(c2[nH]c3c(C)cccc3c2-c2ccncc2)C1.
What is the InChIKey of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone?
The InChIKey is KFRDUIWWNBYMBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4O2/c1-15-6-4-8-20-22(18-9-11-26-12-10-18)24(27-23(15)20)19-7-5-13-29(14-19)25(30)21-16(2)28-31-17(21)3/h4,6,8-12,19,27H,5,7,13-14H2,1-3H3.
What are the key properties of (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone?
(3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone has a molecular weight of 414.51 g/mol, XLogP of 5.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethyl-1,2-oxazol-4-yl)-[3-(7-methyl-3-pyridin-4-yl-1H-indol-2-yl)piperidin-1-yl]methanone is sourced from PubChem (CID 44522314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).