(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide

C12H19N3O3 — CID 67953890

IUPAC(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)on1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)9-5-10(18-15-9)14-11(17)8-4-7(16)6-13-8/h5,7-8,13,16H,4,6H2,1-3H3,(H,14,17)/t7-,8-/m0/s1
InChIKeyDYCNQCPXPSASBY-YUMQZZPRSA-N
MW253.30 g/mol
LogP0.63
Rot. Bonds2

About (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide

(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide (PubChem CID 67953890) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide
PubChem CID67953890
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide
SMILESCC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)on1
InChIInChI=1S/C12H19N3O3/c1-12(2,3)9-5-10(18-15-9)14-11(17)8-4-7(16)6-13-8/h5,7-8,13,16H,4,6H2,1-3H3,(H,14,17)/t7-,8-/m0/s1
InChIKeyDYCNQCPXPSASBY-YUMQZZPRSA-N
XLogP0.63
TPSA87.39 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 50.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide (CID 67953890) is (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide is CC(C)(C)c1cc(NC(=O)[C@@H]2C[C@H](O)CN2)on1.
What is the InChIKey of (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
The InChIKey is DYCNQCPXPSASBY-YUMQZZPRSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-12(2,3)9-5-10(18-15-9)14-11(17)8-4-7(16)6-13-8/h5,7-8,13,16H,4,6H2,1-3H3,(H,14,17)/t7-,8-/m0/s1.
What are the key properties of (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide?
(2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide has a molecular weight of 253.30 g/mol, XLogP of 0.63, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-N-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxypyrrolidine-2-carboxamide is sourced from PubChem (CID 67953890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).