[(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

C17H25N3O4 — CID 70775458

IUPAC[(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)on1
InChIInChI=1S/C17H25N3O4/c1-12(2)10-13-11-15(24-18-13)17(22)20-5-3-4-14(20)16(21)19-6-8-23-9-7-19/h11-12,14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyYNQDYHRQDDYBFF-AWEZNQCLSA-N
MW335.40 g/mol
LogP1.34
Rot. Bonds4

About [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone

[(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (PubChem CID 70775458) has the molecular formula C17H25N3O4 and a molecular weight of 335.40 g/mol. Its IUPAC name is [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
PubChem CID70775458
Molecular FormulaC17H25N3O4
Molecular Weight335.40 g/mol
Exact Mass335.18
IUPAC Name[(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone
SMILESCC(C)Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)on1
InChIInChI=1S/C17H25N3O4/c1-12(2)10-13-11-15(24-18-13)17(22)20-5-3-4-14(20)16(21)19-6-8-23-9-7-19/h11-12,14H,3-10H2,1-2H3/t14-/m0/s1
InChIKeyYNQDYHRQDDYBFF-AWEZNQCLSA-N
XLogP1.34
TPSA75.88 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The IUPAC name of [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone (CID 70775458) is [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is CC(C)Cc1cc(C(=O)N2CCC[C@H]2C(=O)N2CCOCC2)on1.
What is the InChIKey of [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
The InChIKey is YNQDYHRQDDYBFF-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H25N3O4/c1-12(2)10-13-11-15(24-18-13)17(22)20-5-3-4-14(20)16(21)19-6-8-23-9-7-19/h11-12,14H,3-10H2,1-2H3/t14-/m0/s1.
What are the key properties of [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone?
[(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone has a molecular weight of 335.40 g/mol, XLogP of 1.34, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-1-[3-(2-methylpropyl)-1,2-oxazole-5-carbonyl]pyrrolidin-2-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70775458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).