(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

C14H15Cl2N3O2 — CID 56808405

IUPAC(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cc(Cl)c(Cl)n2C)no1
InChIInChI=1S/C14H15Cl2N3O2/c1-8-6-10(17-21-8)11-4-3-5-19(11)14(20)12-7-9(15)13(16)18(12)2/h6-7,11H,3-5H2,1-2H3
InChIKeyNULOXKXZINMDME-UHFFFAOYSA-N
MW328.20 g/mol
LogP3.61
Rot. Bonds2

About (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone

(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (PubChem CID 56808405) has the molecular formula C14H15Cl2N3O2 and a molecular weight of 328.20 g/mol. Its IUPAC name is (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
PubChem CID56808405
Molecular FormulaC14H15Cl2N3O2
Molecular Weight328.20 g/mol
Exact Mass327.05
IUPAC Name(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone
SMILESCc1cc(C2CCCN2C(=O)c2cc(Cl)c(Cl)n2C)no1
InChIInChI=1S/C14H15Cl2N3O2/c1-8-6-10(17-21-8)11-4-3-5-19(11)14(20)12-7-9(15)13(16)18(12)2/h6-7,11H,3-5H2,1-2H3
InChIKeyNULOXKXZINMDME-UHFFFAOYSA-N
XLogP3.61
TPSA51.27 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.20
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The IUPAC name of (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone (CID 56808405) is (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone.
What is the SMILES notation for (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The canonical SMILES for (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is Cc1cc(C2CCCN2C(=O)c2cc(Cl)c(Cl)n2C)no1.
What is the InChIKey of (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
The InChIKey is NULOXKXZINMDME-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15Cl2N3O2/c1-8-6-10(17-21-8)11-4-3-5-19(11)14(20)12-7-9(15)13(16)18(12)2/h6-7,11H,3-5H2,1-2H3.
What are the key properties of (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone?
(4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone has a molecular weight of 328.20 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4,5-dichloro-1-methylpyrrol-2-yl)-[2-(5-methyl-1,2-oxazol-3-yl)pyrrolidin-1-yl]methanone is sourced from PubChem (CID 56808405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).