benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate

C17H24N2O3 — CID 12968116

IUPACbenzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C17H24N2O3/c1-12(15-19-14(11-21-15)17(2,3)4)18-16(20)22-10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,20)/t12-,14+/m0/s1
InChIKeyLFMDMAQBBIIODR-GXTWGEPZSA-N
MW304.39 g/mol
LogP3.14
Rot. Bonds4

About benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate

benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate (PubChem CID 12968116) has the molecular formula C17H24N2O3 and a molecular weight of 304.39 g/mol. Its IUPAC name is benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
PubChem CID12968116
Molecular FormulaC17H24N2O3
Molecular Weight304.39 g/mol
Exact Mass304.18
IUPAC Namebenzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate
SMILESC[C@H](NC(=O)OCc1ccccc1)C1=N[C@@H](C(C)(C)C)CO1
InChIInChI=1S/C17H24N2O3/c1-12(15-19-14(11-21-15)17(2,3)4)18-16(20)22-10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,20)/t12-,14+/m0/s1
InChIKeyLFMDMAQBBIIODR-GXTWGEPZSA-N
XLogP3.14
TPSA59.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[1-(oxetan-3-yl)ethyl]carbamate
CID 144719196
ethyl (5R)-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-4,5-dihydro-1,3-oxazole-5-carboxylate
CID 23552754
benzyl N-(3-methylbutan-2-yl)carbamate;ethane
CID 145481818
benzyl 2-[(4S)-2-[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]propan-2-yl]-4,5-dihydro-1,3-oxazol-4-yl]acetate
CID 102078992
benzyl N-(4-hydroxy-4-methylpentan-2-yl)carbamate
CID 131182059
(3S)-2,2-dimethyl-3-(phenylmethoxycarbonylamino)butanoic acid
CID 91182663
5-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]furan-2-carboxylic acid
CID 11701995
benzyl N-[1-(2,2-dimethylcyclopropyl)ethyl]carbamate
CID 130791608
benzyl N-[(1S)-1-(1H-imidazol-5-yl)ethyl]carbamate
CID 102036199
benzyl N-[(1S)-1-(2-methyl-2,3-dihydropyrazin-5-yl)ethyl]carbamate
CID 10659854
3-methyl-2-(phenylmethoxycarbonylamino)-3-sulfanylbutanoic acid
CID 19702969
tert-butyl (2R)-2-(phenylmethoxycarbonylamino)propanoate
CID 81004591

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate (CID 12968116) is benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate is C[C@H](NC(=O)OCc1ccccc1)C1=N[C@@H](C(C)(C)C)CO1.
What is the InChIKey of benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate?
The InChIKey is LFMDMAQBBIIODR-GXTWGEPZSA-N. The full InChI is InChI=1S/C17H24N2O3/c1-12(15-19-14(11-21-15)17(2,3)4)18-16(20)22-10-13-8-6-5-7-9-13/h5-9,12,14H,10-11H2,1-4H3,(H,18,20)/t12-,14+/m0/s1.
What are the key properties of benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate?
benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate has a molecular weight of 304.39 g/mol, XLogP of 3.14, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]ethyl]carbamate is sourced from PubChem (CID 12968116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).