tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate

C16H20N2O3 — CID 10661007

IUPACtert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1ocnc1-c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-11(18-15(19)21-16(2,3)4)14-13(17-10-20-14)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,19)/t11-/m0/s1
InChIKeyQXSZGCYWELMWTA-NSHDSACASA-N
MW288.35 g/mol
LogP3.93
Rot. Bonds3

About tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate

tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate (PubChem CID 10661007) has the molecular formula C16H20N2O3 and a molecular weight of 288.35 g/mol. Its IUPAC name is tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate
PubChem CID10661007
Molecular FormulaC16H20N2O3
Molecular Weight288.35 g/mol
Exact Mass288.15
IUPAC Nametert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate
SMILESC[C@H](NC(=O)OC(C)(C)C)c1ocnc1-c1ccccc1
InChIInChI=1S/C16H20N2O3/c1-11(18-15(19)21-16(2,3)4)14-13(17-10-20-14)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,19)/t11-/m0/s1
InChIKeyQXSZGCYWELMWTA-NSHDSACASA-N
XLogP3.93
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 5-[1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 4712684
ethyl 5-[(1R)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 52911130
tert-butyl N-[(1R)-1-phenylethyl]carbamate;ethane
CID 143116605
(3-methoxy-2-phenylmethoxyphenyl) 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 174981198
benzyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate;3-phenyl-1,2,4-oxadiazole
CID 142912870
[3-(difluoromethoxy)-2-phenylmethoxyphenyl] 5-[(1S)-1-[(2-methylpropan-2-yl)oxycarbonylamino]ethyl]-1,3-oxazole-4-carboxylate
CID 174981142
1,1'-biphenyl;tert-butyl N-[(2R)-1-hydroxypropan-2-yl]carbamate
CID 175560778
tert-butyl N-[(1S)-1-[4-(5-nitro-3-phenyl-2-pyridinyl)phenyl]ethyl]carbamate
CID 140840542
tert-butyl N-[1-(3-hydroxy-2-pyridinyl)ethyl]carbamate
CID 140527519
tert-butyl N-(1-phenanthridin-6-ylethyl)carbamate
CID 141472588
tert-butyl N-[(R)-1,3-oxazol-5-yl(phenyl)methyl]carbamate
CID 104941376
benzyl (4S)-2,5-dimethyl-4-[(2-methylpropan-2-yl)oxycarbonylamino]hexanoate
CID 138971516

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate?
The IUPAC name of tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate (CID 10661007) is tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate.
What is the SMILES notation for tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate?
The canonical SMILES for tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate is C[C@H](NC(=O)OC(C)(C)C)c1ocnc1-c1ccccc1.
What is the InChIKey of tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate?
The InChIKey is QXSZGCYWELMWTA-NSHDSACASA-N. The full InChI is InChI=1S/C16H20N2O3/c1-11(18-15(19)21-16(2,3)4)14-13(17-10-20-14)12-8-6-5-7-9-12/h5-11H,1-4H3,(H,18,19)/t11-/m0/s1.
What are the key properties of tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate?
tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate has a molecular weight of 288.35 g/mol, XLogP of 3.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[(1S)-1-(4-phenyl-1,3-oxazol-5-yl)ethyl]carbamate is sourced from PubChem (CID 10661007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).