(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide

C19H21N5O3 — CID 126450301

IUPAC(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H21N5O3/c1-12-17(13(2)27-23-12)15-9-6-10-24(15)19(25)20-11-16-21-22-18(26-16)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,20,25)/t15-/m1/s1
InChIKeyJYKWMOCDAPFVEL-OAHLLOKOSA-N
MW367.41 g/mol
LogP3.39
Rot. Bonds4

About (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide

(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide (PubChem CID 126450301) has the molecular formula C19H21N5O3 and a molecular weight of 367.41 g/mol. Its IUPAC name is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide
PubChem CID126450301
Molecular FormulaC19H21N5O3
Molecular Weight367.41 g/mol
Exact Mass367.16
IUPAC Name(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide
SMILESCc1noc(C)c1[C@H]1CCCN1C(=O)NCc1nnc(-c2ccccc2)o1
InChIInChI=1S/C19H21N5O3/c1-12-17(13(2)27-23-12)15-9-6-10-24(15)19(25)20-11-16-21-22-18(26-16)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,20,25)/t15-/m1/s1
InChIKeyJYKWMOCDAPFVEL-OAHLLOKOSA-N
XLogP3.39
TPSA97.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.41
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide (CID 126450301) is (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide is Cc1noc(C)c1[C@H]1CCCN1C(=O)NCc1nnc(-c2ccccc2)o1.
What is the InChIKey of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide?
The InChIKey is JYKWMOCDAPFVEL-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H21N5O3/c1-12-17(13(2)27-23-12)15-9-6-10-24(15)19(25)20-11-16-21-22-18(26-16)14-7-4-3-5-8-14/h3-5,7-8,15H,6,9-11H2,1-2H3,(H,20,25)/t15-/m1/s1.
What are the key properties of (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide?
(2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide has a molecular weight of 367.41 g/mol, XLogP of 3.39, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]pyrrolidine-1-carboxamide is sourced from PubChem (CID 126450301), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).