2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

C19H16BrN3O3 — CID 166367804

IUPAC2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1cc2oc(Br)cc2[nH]1
InChIInChI=1S/C19H16BrN3O3/c1-11-13(23-19(25-11)12-5-3-2-4-6-12)7-8-21-18(24)15-9-16-14(22-15)10-17(20)26-16/h2-6,9-10,22H,7-8H2,1H3,(H,21,24)
InChIKeyTUGYERVJEIEEQG-UHFFFAOYSA-N
MW414.26 g/mol
LogP4.46
Rot. Bonds5

About 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide

2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (PubChem CID 166367804) has the molecular formula C19H16BrN3O3 and a molecular weight of 414.26 g/mol. Its IUPAC name is 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.

Molecular Properties

Compound Name2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
PubChem CID166367804
Molecular FormulaC19H16BrN3O3
Molecular Weight414.26 g/mol
Exact Mass413.04
IUPAC Name2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide
SMILESCc1oc(-c2ccccc2)nc1CCNC(=O)c1cc2oc(Br)cc2[nH]1
InChIInChI=1S/C19H16BrN3O3/c1-11-13(23-19(25-11)12-5-3-2-4-6-12)7-8-21-18(24)15-9-16-14(22-15)10-17(20)26-16/h2-6,9-10,22H,7-8H2,1H3,(H,21,24)
InChIKeyTUGYERVJEIEEQG-UHFFFAOYSA-N
XLogP4.46
TPSA84.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.26
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-fluoro-5-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146126713
2-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-5-phenylbenzamide
CID 166367592
5-methyl-3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzene-1,3-dicarboxamide
CID 166367611
2,5,6-trimethyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-3-carboxamide
CID 166296297
4-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]furan-3-carboxamide
CID 166367638
N-[2-[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415241
N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]thiophene-2-carboxamide
CID 110414883
3-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazine-2,3-dicarboxamide
CID 166218441
3-chloro-5-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzamide
CID 146122787
3-fluoro-N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110415131
5-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyridine-2,5-dicarboxamide
CID 167750168
5-chloro-1-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]pyrazole-4-carboxamide
CID 146152159

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The IUPAC name of 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide (CID 166367804) is 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide.
What is the SMILES notation for 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The canonical SMILES for 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is Cc1oc(-c2ccccc2)nc1CCNC(=O)c1cc2oc(Br)cc2[nH]1.
What is the InChIKey of 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
The InChIKey is TUGYERVJEIEEQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16BrN3O3/c1-11-13(23-19(25-11)12-5-3-2-4-6-12)7-8-21-18(24)15-9-16-14(22-15)10-17(20)26-16/h2-6,9-10,22H,7-8H2,1H3,(H,21,24).
What are the key properties of 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide?
2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide has a molecular weight of 414.26 g/mol, XLogP of 4.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]-4H-furo[3,2-b]pyrrole-5-carboxamide is sourced from PubChem (CID 166367804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).