(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

C19H19N3O3 — CID 110909635

IUPAC(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC[C@@H]1CO
InChIInChI=1S/C19H19N3O3/c23-12-15-4-3-11-22(15)19(24)20-14-9-7-13(8-10-14)18-21-16-5-1-2-6-17(16)25-18/h1-2,5-10,15,23H,3-4,11-12H2,(H,20,24)/t15-/m1/s1
InChIKeyKWKYWZAXCKKZIS-OAHLLOKOSA-N
MW337.38 g/mol
LogP3.48
Rot. Bonds3

About (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide

(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (PubChem CID 110909635) has the molecular formula C19H19N3O3 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
PubChem CID110909635
Molecular FormulaC19H19N3O3
Molecular Weight337.38 g/mol
Exact Mass337.14
IUPAC Name(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC[C@@H]1CO
InChIInChI=1S/C19H19N3O3/c23-12-15-4-3-11-22(15)19(24)20-14-9-7-13(8-10-14)18-21-16-5-1-2-6-17(16)25-18/h1-2,5-10,15,23H,3-4,11-12H2,(H,20,24)/t15-/m1/s1
InChIKeyKWKYWZAXCKKZIS-OAHLLOKOSA-N
XLogP3.48
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The IUPAC name of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide (CID 110909635) is (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The canonical SMILES for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is O=C(Nc1ccc(-c2nc3ccccc3o2)cc1)N1CCC[C@@H]1CO.
What is the InChIKey of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
The InChIKey is KWKYWZAXCKKZIS-OAHLLOKOSA-N. The full InChI is InChI=1S/C19H19N3O3/c23-12-15-4-3-11-22(15)19(24)20-14-9-7-13(8-10-14)18-21-16-5-1-2-6-17(16)25-18/h1-2,5-10,15,23H,3-4,11-12H2,(H,20,24)/t15-/m1/s1.
What are the key properties of (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide?
(2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide has a molecular weight of 337.38 g/mol, XLogP of 3.48, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(hydroxymethyl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 110909635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).