(2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide

C25H23N3O3 — CID 93015909

IUPAC(2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C25H23N3O3/c1-30-22-12-6-5-10-19(22)27-25(29)28-15-7-11-21(28)24-26-20-16-18(13-14-23(20)31-24)17-8-3-2-4-9-17/h2-6,8-10,12-14,16,21H,7,11,15H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyBMHNSQXKOBOYDZ-OAQYLSRUSA-N
MW413.48 g/mol
LogP5.87
Rot. Bonds4

About (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide

(2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide (PubChem CID 93015909) has the molecular formula C25H23N3O3 and a molecular weight of 413.48 g/mol. Its IUPAC name is (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide
PubChem CID93015909
Molecular FormulaC25H23N3O3
Molecular Weight413.48 g/mol
Exact Mass413.17
IUPAC Name(2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide
SMILESCOc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1
InChIInChI=1S/C25H23N3O3/c1-30-22-12-6-5-10-19(22)27-25(29)28-15-7-11-21(28)24-26-20-16-18(13-14-23(20)31-24)17-8-3-2-4-9-17/h2-6,8-10,12-14,16,21H,7,11,15H2,1H3,(H,27,29)/t21-/m1/s1
InChIKeyBMHNSQXKOBOYDZ-OAQYLSRUSA-N
XLogP5.87
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500413.48
LogP ≤ 55.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide
CID 46107558
(2S)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 93016136
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 93016082
N-(2,4-difluorophenyl)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 46107741
N-(2,4-difluorophenyl)-2-[5-(4-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880505
2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]-N-(4-nitrophenyl)pyrrolidine-1-carboxamide
CID 46107738
(2R)-N-(2-methylphenyl)-2-[5-(2-methylphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93015962
N-(3,4-difluorophenyl)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 42880552
(3,5-dimethoxyphenyl)-[(2R)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidin-1-yl]methanone
CID 93015259
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-ethoxyphenyl)pyrrolidine-1-carboxamide
CID 93016102
N-(4-ethoxyphenyl)-2-[5-(2-methoxyphenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 46107743
(2R)-N-(2-fluorophenyl)-2-[5-(2-fluorophenyl)-1,3-benzoxazol-2-yl]pyrrolidine-1-carboxamide
CID 93016120

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide (CID 93015909) is (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide is COc1ccccc1NC(=O)N1CCC[C@@H]1c1nc2cc(-c3ccccc3)ccc2o1.
What is the InChIKey of (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide?
The InChIKey is BMHNSQXKOBOYDZ-OAQYLSRUSA-N. The full InChI is InChI=1S/C25H23N3O3/c1-30-22-12-6-5-10-19(22)27-25(29)28-15-7-11-21(28)24-26-20-16-18(13-14-23(20)31-24)17-8-3-2-4-9-17/h2-6,8-10,12-14,16,21H,7,11,15H2,1H3,(H,27,29)/t21-/m1/s1.
What are the key properties of (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide?
(2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide has a molecular weight of 413.48 g/mol, XLogP of 5.87, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2-methoxyphenyl)-2-(5-phenyl-1,3-benzoxazol-2-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 93015909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).