(2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

C19H19ClN6O2 — CID 155531543

IUPAC(2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(Cl)cc1-n1nnnc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1
InChIInChI=1S/C19H19ClN6O2/c1-11-2-5-13(20)10-17(11)26-19(23-24-25-26)28-14-6-3-12(4-7-14)15-8-9-16(22-15)18(21)27/h2-7,10,15-16,22H,8-9H2,1H3,(H2,21,27)/t15-,16+/m1/s1
InChIKeyUVFGLTLANGYMIN-CVEARBPZSA-N
MW398.85 g/mol
LogP2.69
Rot. Bonds5

About (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide

(2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (PubChem CID 155531543) has the molecular formula C19H19ClN6O2 and a molecular weight of 398.85 g/mol. Its IUPAC name is (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
PubChem CID155531543
Molecular FormulaC19H19ClN6O2
Molecular Weight398.85 g/mol
Exact Mass398.13
IUPAC Name(2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide
SMILESCc1ccc(Cl)cc1-n1nnnc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1
InChIInChI=1S/C19H19ClN6O2/c1-11-2-5-13(20)10-17(11)26-19(23-24-25-26)28-14-6-3-12(4-7-14)15-8-9-16(22-15)18(21)27/h2-7,10,15-16,22H,8-9H2,1H3,(H2,21,27)/t15-,16+/m1/s1
InChIKeyUVFGLTLANGYMIN-CVEARBPZSA-N
XLogP2.69
TPSA107.95 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.85
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide (CID 155531543) is (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide is Cc1ccc(Cl)cc1-n1nnnc1Oc1ccc([C@H]2CC[C@@H](C(N)=O)N2)cc1.
What is the InChIKey of (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
The InChIKey is UVFGLTLANGYMIN-CVEARBPZSA-N. The full InChI is InChI=1S/C19H19ClN6O2/c1-11-2-5-13(20)10-17(11)26-19(23-24-25-26)28-14-6-3-12(4-7-14)15-8-9-16(22-15)18(21)27/h2-7,10,15-16,22H,8-9H2,1H3,(H2,21,27)/t15-,16+/m1/s1.
What are the key properties of (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide?
(2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide has a molecular weight of 398.85 g/mol, XLogP of 2.69, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5R)-5-[4-[1-(5-chloro-2-methylphenyl)tetrazol-5-yl]oxyphenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 155531543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).