4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide

C14H18BrN3O2 — CID 60955815

IUPAC4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cc(Br)cn2C(C)C)on1
InChIInChI=1S/C14H18BrN3O2/c1-8(2)11-6-13(20-17-11)16-14(19)12-5-10(15)7-18(12)9(3)4/h5-9H,1-4H3,(H,16,19)
InChIKeyBIFZVHXLYCASDI-UHFFFAOYSA-N
MW340.22 g/mol
LogP4.20
Rot. Bonds4

About 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide

4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide (PubChem CID 60955815) has the molecular formula C14H18BrN3O2 and a molecular weight of 340.22 g/mol. Its IUPAC name is 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide.

Molecular Properties

Compound Name4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
PubChem CID60955815
Molecular FormulaC14H18BrN3O2
Molecular Weight340.22 g/mol
Exact Mass339.06
IUPAC Name4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide
SMILESCC(C)c1cc(NC(=O)c2cc(Br)cn2C(C)C)on1
InChIInChI=1S/C14H18BrN3O2/c1-8(2)11-6-13(20-17-11)16-14(19)12-5-10(15)7-18(12)9(3)4/h5-9H,1-4H3,(H,16,19)
InChIKeyBIFZVHXLYCASDI-UHFFFAOYSA-N
XLogP4.20
TPSA60.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.22
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide?
The IUPAC name of 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide (CID 60955815) is 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide.
What is the SMILES notation for 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide?
The canonical SMILES for 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide is CC(C)c1cc(NC(=O)c2cc(Br)cn2C(C)C)on1.
What is the InChIKey of 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide?
The InChIKey is BIFZVHXLYCASDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18BrN3O2/c1-8(2)11-6-13(20-17-11)16-14(19)12-5-10(15)7-18(12)9(3)4/h5-9H,1-4H3,(H,16,19).
What are the key properties of 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide?
4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide has a molecular weight of 340.22 g/mol, XLogP of 4.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-1-propan-2-yl-N-(3-propan-2-yl-1,2-oxazol-5-yl)pyrrole-2-carboxamide is sourced from PubChem (CID 60955815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).