(3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

C14H15N3O3 — CID 71857804

IUPAC(3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)on1)N1CC[C@H](O)C1
InChIInChI=1S/C14H15N3O3/c18-11-6-7-17(9-11)14(19)15-13-8-12(20-16-13)10-4-2-1-3-5-10/h1-5,8,11,18H,6-7,9H2,(H,15,16,19)/t11-/m0/s1
InChIKeyBPGHLWHIXQEKIN-NSHDSACASA-N
MW273.29 g/mol
LogP1.94
Rot. Bonds2

About (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide

(3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (PubChem CID 71857804) has the molecular formula C14H15N3O3 and a molecular weight of 273.29 g/mol. Its IUPAC name is (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
PubChem CID71857804
Molecular FormulaC14H15N3O3
Molecular Weight273.29 g/mol
Exact Mass273.11
IUPAC Name(3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide
SMILESO=C(Nc1cc(-c2ccccc2)on1)N1CC[C@H](O)C1
InChIInChI=1S/C14H15N3O3/c18-11-6-7-17(9-11)14(19)15-13-8-12(20-16-13)10-4-2-1-3-5-10/h1-5,8,11,18H,6-7,9H2,(H,15,16,19)/t11-/m0/s1
InChIKeyBPGHLWHIXQEKIN-NSHDSACASA-N
XLogP1.94
TPSA78.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The IUPAC name of (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide (CID 71857804) is (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide.
What is the SMILES notation for (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The canonical SMILES for (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is O=C(Nc1cc(-c2ccccc2)on1)N1CC[C@H](O)C1.
What is the InChIKey of (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
The InChIKey is BPGHLWHIXQEKIN-NSHDSACASA-N. The full InChI is InChI=1S/C14H15N3O3/c18-11-6-7-17(9-11)14(19)15-13-8-12(20-16-13)10-4-2-1-3-5-10/h1-5,8,11,18H,6-7,9H2,(H,15,16,19)/t11-/m0/s1.
What are the key properties of (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide?
(3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide has a molecular weight of 273.29 g/mol, XLogP of 1.94, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-hydroxy-N-(5-phenyl-1,2-oxazol-3-yl)pyrrolidine-1-carboxamide is sourced from PubChem (CID 71857804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).