(2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide

C14H23N3O3 — CID 167877262

IUPAC(2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ncc(C(C)(C)C)o2)C1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)11-6-16-12(20-11)8-17-7-9(19-4)5-10(17)13(15)18/h6,9-10H,5,7-8H2,1-4H3,(H2,15,18)/t9-,10-/m0/s1
InChIKeyYEQRTLLOGRTPAL-UWVGGRQHSA-N
MW281.36 g/mol
LogP1.05
Rot. Bonds4

About (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide

(2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide (PubChem CID 167877262) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
PubChem CID167877262
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Name(2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide
SMILESCO[C@H]1C[C@@H](C(N)=O)N(Cc2ncc(C(C)(C)C)o2)C1
InChIInChI=1S/C14H23N3O3/c1-14(2,3)11-6-16-12(20-11)8-17-7-9(19-4)5-10(17)13(15)18/h6,9-10H,5,7-8H2,1-4H3,(H2,15,18)/t9-,10-/m0/s1
InChIKeyYEQRTLLOGRTPAL-UWVGGRQHSA-N
XLogP1.05
TPSA81.59 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The IUPAC name of (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide (CID 167877262) is (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide.
What is the SMILES notation for (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The canonical SMILES for (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide is CO[C@H]1C[C@@H](C(N)=O)N(Cc2ncc(C(C)(C)C)o2)C1.
What is the InChIKey of (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
The InChIKey is YEQRTLLOGRTPAL-UWVGGRQHSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-14(2,3)11-6-16-12(20-11)8-17-7-9(19-4)5-10(17)13(15)18/h6,9-10H,5,7-8H2,1-4H3,(H2,15,18)/t9-,10-/m0/s1.
What are the key properties of (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide?
(2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide has a molecular weight of 281.36 g/mol, XLogP of 1.05, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4S)-1-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-methoxypyrrolidine-2-carboxamide is sourced from PubChem (CID 167877262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).