(2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

C17H24N4O3 — CID 86297584

IUPAC(2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(C#N)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1
InChIInChI=1S/C17H24N4O3/c1-17(2,11-18)14-10-15(24-20-14)19-16(22)13-4-3-7-21(13)12-5-8-23-9-6-12/h10,12-13H,3-9H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyRWOJUCLDPHHMKI-ZDUSSCGKSA-N
MW332.40 g/mol
LogP2.06
Rot. Bonds4

About (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide

(2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (PubChem CID 86297584) has the molecular formula C17H24N4O3 and a molecular weight of 332.40 g/mol. Its IUPAC name is (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
PubChem CID86297584
Molecular FormulaC17H24N4O3
Molecular Weight332.40 g/mol
Exact Mass332.18
IUPAC Name(2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide
SMILESCC(C)(C#N)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1
InChIInChI=1S/C17H24N4O3/c1-17(2,11-18)14-10-15(24-20-14)19-16(22)13-4-3-7-21(13)12-5-8-23-9-6-12/h10,12-13H,3-9H2,1-2H3,(H,19,22)/t13-/m0/s1
InChIKeyRWOJUCLDPHHMKI-ZDUSSCGKSA-N
XLogP2.06
TPSA91.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.40
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide (CID 86297584) is (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is CC(C)(C#N)c1cc(NC(=O)[C@@H]2CCCN2C2CCOCC2)on1.
What is the InChIKey of (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
The InChIKey is RWOJUCLDPHHMKI-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H24N4O3/c1-17(2,11-18)14-10-15(24-20-14)19-16(22)13-4-3-7-21(13)12-5-8-23-9-6-12/h10,12-13H,3-9H2,1-2H3,(H,19,22)/t13-/m0/s1.
What are the key properties of (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide?
(2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide has a molecular weight of 332.40 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[3-(2-cyanopropan-2-yl)-1,2-oxazol-5-yl]-1-(oxan-4-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 86297584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).