tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate

C12H17N3O4 — CID 15437365

IUPACtert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(c2ccon2)C1=O
InChIInChI=1S/C12H17N3O4/c1-12(2,3)19-11(17)13-8-4-6-15(10(8)16)9-5-7-18-14-9/h5,7-8H,4,6H2,1-3H3,(H,13,17)/t8-/m0/s1
InChIKeyUUEPJKMPVISGTL-QMMMGPOBSA-N
MW267.28 g/mol
LogP1.30
Rot. Bonds2

About tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate

tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate (PubChem CID 15437365) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate
PubChem CID15437365
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Nametert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate
SMILESCC(C)(C)OC(=O)N[C@H]1CCN(c2ccon2)C1=O
InChIInChI=1S/C12H17N3O4/c1-12(2,3)19-11(17)13-8-4-6-15(10(8)16)9-5-7-18-14-9/h5,7-8H,4,6H2,1-3H3,(H,13,17)/t8-/m0/s1
InChIKeyUUEPJKMPVISGTL-QMMMGPOBSA-N
XLogP1.30
TPSA84.67 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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tert-butyl N-(1-methyl-2-oxopyrrolidin-3-yl)carbamate
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tert-butyl N-[(3S)-1-amino-2-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(4-bromophenyl)-2-oxopiperidin-3-yl]carbamate
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tert-butyl N-[1-[5-(2-fluorophenyl)-2-pyridinyl]-2-oxopiperidin-3-yl]carbamate
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tert-butyl N-[1-(2-hydroxyethyl)-2-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-[(3R)-1-(1-carbamoylcyclopentyl)-2-oxopyrrolidin-3-yl]carbamate
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tert-butyl N-[(3S)-1-[4-[(1S)-1-(dimethylamino)ethyl]-2-fluorophenyl]-2-oxopyrrolidin-3-yl]carbamate
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Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate?
The IUPAC name of tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate (CID 15437365) is tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate.
What is the SMILES notation for tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate?
The canonical SMILES for tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate is CC(C)(C)OC(=O)N[C@H]1CCN(c2ccon2)C1=O.
What is the InChIKey of tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate?
The InChIKey is UUEPJKMPVISGTL-QMMMGPOBSA-N. The full InChI is InChI=1S/C12H17N3O4/c1-12(2,3)19-11(17)13-8-4-6-15(10(8)16)9-5-7-18-14-9/h5,7-8H,4,6H2,1-3H3,(H,13,17)/t8-/m0/s1.
What are the key properties of tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate?
tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate has a molecular weight of 267.28 g/mol, XLogP of 1.30, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(3S)-1-(1,2-oxazol-3-yl)-2-oxopyrrolidin-3-yl]carbamate is sourced from PubChem (CID 15437365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).