tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate

C12H18N2O4 — CID 157142413

IUPACtert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCC(=O)c1coc(CCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O4/c1-8(15)9-7-17-10(14-9)5-6-13-11(16)18-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyAKIKFCINSCMBLH-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.94
Rot. Bonds4

About tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate

tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate (PubChem CID 157142413) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate
PubChem CID157142413
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Nametert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate
SMILESCC(=O)c1coc(CCNC(=O)OC(C)(C)C)n1
InChIInChI=1S/C12H18N2O4/c1-8(15)9-7-17-10(14-9)5-6-13-11(16)18-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16)
InChIKeyAKIKFCINSCMBLH-UHFFFAOYSA-N
XLogP1.94
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl N-[2-[4-[(3-chloro-2-pyridinyl)methylcarbamoyl]-1,3-oxazol-2-yl]ethyl]carbamate
CID 129067288
tert-butyl N-[2-(5-tert-butyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 77231283
tert-butyl N-(2-pyrimidin-2-ylethyl)carbamate
CID 96537570
methyl 5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]furan-3-carboxylate
CID 99988506
5-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,2-oxazole-3-carboxylic acid
CID 67426969
tert-butyl N-[2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]carbamate
CID 171336753
tert-butyl N-[6-[2-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-2-pyridinyl]carbamate
CID 140879192
tert-butyl N-[2-[4-(aminomethyl)-1,3-oxazol-5-yl]ethyl]carbamate
CID 138376888
tert-butyl N-[2-(5-ethylsulfanyl-1,3,4-oxadiazol-2-yl)ethyl]carbamate
CID 937933
tert-butyl N-[3-(6-acetyl-2-pyridinyl)prop-2-enyl]carbamate
CID 169467597
tert-butyl N-(2-phenylethyl)carbamate;ethane
CID 177159157
tert-butyl N-[2-[4-(2-hydroxyethyl)phenyl]ethyl]carbamate
CID 91185994

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate (CID 157142413) is tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate is CC(=O)c1coc(CCNC(=O)OC(C)(C)C)n1.
What is the InChIKey of tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate?
The InChIKey is AKIKFCINSCMBLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-8(15)9-7-17-10(14-9)5-6-13-11(16)18-12(2,3)4/h7H,5-6H2,1-4H3,(H,13,16).
What are the key properties of tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate?
tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate has a molecular weight of 254.29 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-(4-acetyl-1,3-oxazol-2-yl)ethyl]carbamate is sourced from PubChem (CID 157142413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).