benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate

C26H26N2O3 — CID 57034837

IUPACbenzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H]1C=C(Cc2ccccc2)NO1)OCc1ccccc1
InChIInChI=1S/C26H26N2O3/c29-26(30-19-22-14-8-3-9-15-22)27-24(17-21-12-6-2-7-13-21)25-18-23(28-31-25)16-20-10-4-1-5-11-20/h1-15,18,24-25,28H,16-17,19H2,(H,27,29)/t24-,25-/m0/s1
InChIKeyIQBVPGWYKJWXTD-DQEYMECFSA-N
MW414.51 g/mol
LogP4.55
Rot. Bonds8

About benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate

benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate (PubChem CID 57034837) has the molecular formula C26H26N2O3 and a molecular weight of 414.51 g/mol. Its IUPAC name is benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
PubChem CID57034837
Molecular FormulaC26H26N2O3
Molecular Weight414.51 g/mol
Exact Mass414.19
IUPAC Namebenzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate
SMILESO=C(N[C@@H](Cc1ccccc1)[C@@H]1C=C(Cc2ccccc2)NO1)OCc1ccccc1
InChIInChI=1S/C26H26N2O3/c29-26(30-19-22-14-8-3-9-15-22)27-24(17-21-12-6-2-7-13-21)25-18-23(28-31-25)16-20-10-4-1-5-11-20/h1-15,18,24-25,28H,16-17,19H2,(H,27,29)/t24-,25-/m0/s1
InChIKeyIQBVPGWYKJWXTD-DQEYMECFSA-N
XLogP4.55
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

benzyl N-[(2S,3R)-4-{[(2R,3S)-3-{[(benzyloxy)carbonyl]amino}-2-hydroxy-4-phenylbutyl]amino}-3-hydroxy-1-phenylbutan-2-yl]carbamate
CID 455714
N-carbobenzoxy-L-phenylalanilol
CID 853481
Carbamic acid, N-(1-benzyl-2-hydroxyethyl)-, benzyl ester
CID 52361
(2S,3S)-1,2-Epoxy-3-(Cbz-amino)-4-phenylbutane
CID 9861019
Benzyl phenethylcarbamate
CID 4779135
Benzyl hydrogen (1-hydroxy-3-phenylpropan-2-yl)carbonimidate
CID 736170
benzyl N-[(2S)-1-ethenoxy-3-phenylpropan-2-yl]carbamate
CID 90679319
(S)-Benzyl (1-cyano-2-phenylethyl)carbamate
CID 14060562
benzyl 3-phenyl-5-(2-phenylethyl)-3H-1,2-oxazole-2-carboxylate
CID 135026866
(R)-5,5-Diphenyl-4-benzyl-2-oxazolidinone
CID 4527113
Benzyl N-(1-phenylpent-4-en-2-yl)carbamate
CID 11231727
benzyl N-[(2S)-2-hydroxy-2-phenylethyl]carbamate
CID 11369277

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate?
The IUPAC name of benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate (CID 57034837) is benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate.
What is the SMILES notation for benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate?
The canonical SMILES for benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate is O=C(N[C@@H](Cc1ccccc1)[C@@H]1C=C(Cc2ccccc2)NO1)OCc1ccccc1.
What is the InChIKey of benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate?
The InChIKey is IQBVPGWYKJWXTD-DQEYMECFSA-N. The full InChI is InChI=1S/C26H26N2O3/c29-26(30-19-22-14-8-3-9-15-22)27-24(17-21-12-6-2-7-13-21)25-18-23(28-31-25)16-20-10-4-1-5-11-20/h1-15,18,24-25,28H,16-17,19H2,(H,27,29)/t24-,25-/m0/s1.
What are the key properties of benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate?
benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate has a molecular weight of 414.51 g/mol, XLogP of 4.55, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1S)-1-[(5S)-3-benzyl-2,5-dihydro-1,2-oxazol-5-yl]-2-phenylethyl]carbamate is sourced from PubChem (CID 57034837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).