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

C21H24N2O3 — CID 57026348

IUPACethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C21H24N2O3/c1-2-25-21(24)22-19(14-17-11-7-4-8-12-17)20-15-18(23-26-20)13-16-9-5-3-6-10-16/h3-12,15,19-20,23H,2,13-14H2,1H3,(H,22,24)
InChIKeyFUMMWQWQNMRLSA-UHFFFAOYSA-N
MW352.43 g/mol
LogP3.37
Rot. Bonds7

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

ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate (PubChem CID 57026348) has the molecular formula C21H24N2O3 and a molecular weight of 352.43 g/mol. Its IUPAC name is ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
PubChem CID57026348
Molecular FormulaC21H24N2O3
Molecular Weight352.43 g/mol
Exact Mass352.18
IUPAC Nameethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate
SMILESCCOC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1
InChIInChI=1S/C21H24N2O3/c1-2-25-21(24)22-19(14-17-11-7-4-8-12-17)20-15-18(23-26-20)13-16-9-5-3-6-10-16/h3-12,15,19-20,23H,2,13-14H2,1H3,(H,22,24)
InChIKeyFUMMWQWQNMRLSA-UHFFFAOYSA-N
XLogP3.37
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.43
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate with MolForge

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Related Compounds

propan-2-yl N-[(2S,3R)-3-hydroxy-4-{[(2R,3S)-2-hydroxy-4-phenyl-3-{[(propan-2-yloxy)carbonyl]amino}butyl]amino}-1-phenylbutan-2-yl]carbamate
CID 455715
tert-butyl N-[(2S,3S,4S)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate
CID 14704378
tert-butyl N-[(2S,3R,4R)-4-amino-3-hydroxy-1,5-diphenylpentan-2-yl]carbamate
CID 14704379
[5-[fluoro(diphenyl)methyl]pyrrolidin-3-yl] N-ethylcarbamate
CID 68076466
[(3R)-5-[fluoro(diphenyl)methyl]pyrrolidin-3-yl] N-ethylcarbamate
CID 89759151
[(E)-3-cyclohexylprop-2-enyl] N-[(2S)-1-methoxy-3-phenylpropan-2-yl]carbamate
CID 14566861
tert-butyl N-[(2S,3S,4Z)-3-hydroxy-1-phenylhepta-4,6-dien-2-yl]carbamate
CID 102412244
tert-butyl N-[(2S,3R,4Z)-3-hydroxy-1-phenylhepta-4,6-dien-2-yl]carbamate
CID 102412245
tert-butyl N-[(2S,3S)-1-phenyl-3-phenylmethoxypent-4-en-2-yl]carbamate
CID 10883094
tert-butyl N-[(2S,3R)-4-amino-3-methoxy-1-phenylbutan-2-yl]carbamate
CID 10040112
[(R)-1-(Benzyloxyaminomethyl)-2-phenyl-ethyl)-carbamic acid tert-butyl ester
CID 12134770
tert-butyl N-[(2R)-1-[formyl(phenylmethoxy)amino]-3-phenylpropan-2-yl]carbamate
CID 12134771

Frequently Asked Questions

What is the IUPAC name of ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate?
The IUPAC name of ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate (CID 57026348) is ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate.
What is the SMILES notation for ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate?
The canonical SMILES for ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate is CCOC(=O)NC(Cc1ccccc1)C1C=C(Cc2ccccc2)NO1.
What is the InChIKey of ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate?
The InChIKey is FUMMWQWQNMRLSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3/c1-2-25-21(24)22-19(14-17-11-7-4-8-12-17)20-15-18(23-26-20)13-16-9-5-3-6-10-16/h3-12,15,19-20,23H,2,13-14H2,1H3,(H,22,24).
What are the key properties of ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate?
ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate has a molecular weight of 352.43 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-(3-benzyl-2,5-dihydro-1,2-oxazol-5-yl)-2-phenylethyl]carbamate is sourced from PubChem (CID 57026348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).