(5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone

C16H13BrClN5O2 — CID 143434727

IUPAC(5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCCC1c1nnn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H13BrClN5O2/c17-14-7-6-13(25-14)16(24)22-8-2-5-12(22)15-19-21-23(20-15)11-4-1-3-10(18)9-11/h1,3-4,6-7,9,12H,2,5,8H2
InChIKeyVWAGLWPZARXEBX-UHFFFAOYSA-N
MW422.67 g/mol
LogP3.65
Rot. Bonds3

About (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone

(5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone (PubChem CID 143434727) has the molecular formula C16H13BrClN5O2 and a molecular weight of 422.67 g/mol. Its IUPAC name is (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone
PubChem CID143434727
Molecular FormulaC16H13BrClN5O2
Molecular Weight422.67 g/mol
Exact Mass420.99
IUPAC Name(5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone
SMILESO=C(c1ccc(Br)o1)N1CCCC1c1nnn(-c2cccc(Cl)c2)n1
InChIInChI=1S/C16H13BrClN5O2/c17-14-7-6-13(25-14)16(24)22-8-2-5-12(22)15-19-21-23(20-15)11-4-1-3-10(18)9-11/h1,3-4,6-7,9,12H,2,5,8H2
InChIKeyVWAGLWPZARXEBX-UHFFFAOYSA-N
XLogP3.65
TPSA77.05 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.67
LogP ≤ 53.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

(5-bromofuran-2-yl)-[2-[2-(3-bromophenyl)tetrazol-5-yl]piperidin-1-yl]methanone;(2,5-dimethylfuran-3-yl)-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 157487083
furan-2-yl-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 67516332
(4-bromocyclopenta-1,3-dien-1-yl)-[2-[2-(3-methylphenyl)tetrazol-5-yl]piperidin-1-yl]methanone
CID 143434663
3-[2-(3-chlorophenyl)tetrazol-5-yl]piperidine-1-carboxylic acid
CID 57459666
(5-bromofuran-2-yl)-(2-pyridin-4-ylpyrrolidin-1-yl)methanone
CID 60715504
(2R)-2-[2-(3-cyanophenyl)tetrazol-5-yl]pyrrolidine-1-carbothioic S-acid
CID 141188437
(5-bromofuran-2-yl)-[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]methanone
CID 66261684
(5-bromofuran-2-yl)-[(2S)-2-thiophen-3-ylpyrrolidin-1-yl]methanone
CID 51947990
[2-(aminomethyl)pyrrolidin-1-yl]-(5-bromofuran-2-yl)methanone
CID 81483336
[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-(5-bromofuran-2-yl)methanone
CID 102726484
(5-bromofuran-2-yl)-[2-[4-(cyclopropylmethyl)-1,2,4-triazol-3-yl]piperidin-1-yl]methanone
CID 163339649
(5-chlorofuran-2-yl)-[(2S)-2-(4-chlorophenyl)pyrrolidin-1-yl]methanone
CID 51935584

Frequently Asked Questions

What is the IUPAC name of (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone?
The IUPAC name of (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone (CID 143434727) is (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone.
What is the SMILES notation for (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone?
The canonical SMILES for (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone is O=C(c1ccc(Br)o1)N1CCCC1c1nnn(-c2cccc(Cl)c2)n1.
What is the InChIKey of (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone?
The InChIKey is VWAGLWPZARXEBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrClN5O2/c17-14-7-6-13(25-14)16(24)22-8-2-5-12(22)15-19-21-23(20-15)11-4-1-3-10(18)9-11/h1,3-4,6-7,9,12H,2,5,8H2.
What are the key properties of (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone?
(5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone has a molecular weight of 422.67 g/mol, XLogP of 3.65, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5-bromofuran-2-yl)-[2-[2-(3-chlorophenyl)tetrazol-5-yl]pyrrolidin-1-yl]methanone is sourced from PubChem (CID 143434727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).