benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate

C27H24N2O3 — CID 54377108

IUPACbenzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate
SMILESC=CC[C@@H](NC(=O)OCc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C27H24N2O3/c1-2-12-23(28-27(30)31-19-20-13-6-3-7-14-20)26-29-24(21-15-8-4-9-16-21)25(32-26)22-17-10-5-11-18-22/h2-11,13-18,23H,1,12,19H2,(H,28,30)/t23-/m1/s1
InChIKeyUXHJYBFYSMKTGZ-HSZRJFAPSA-N
MW424.50 g/mol
LogP6.55
Rot. Bonds8

About benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate

benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate (PubChem CID 54377108) has the molecular formula C27H24N2O3 and a molecular weight of 424.50 g/mol. Its IUPAC name is benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate.

Molecular Properties

Compound Namebenzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate
PubChem CID54377108
Molecular FormulaC27H24N2O3
Molecular Weight424.50 g/mol
Exact Mass424.18
IUPAC Namebenzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate
SMILESC=CC[C@@H](NC(=O)OCc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C27H24N2O3/c1-2-12-23(28-27(30)31-19-20-13-6-3-7-14-20)26-29-24(21-15-8-4-9-16-21)25(32-26)22-17-10-5-11-18-22/h2-11,13-18,23H,1,12,19H2,(H,28,30)/t23-/m1/s1
InChIKeyUXHJYBFYSMKTGZ-HSZRJFAPSA-N
XLogP6.55
TPSA64.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.50
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

benzyl N-[1-(4-methoxyphenyl)but-3-enyl]carbamate
CID 11392783
benzyl N-[(1S)-1-(3-hydroxyphenyl)but-3-enyl]carbamate
CID 175272837
benzyl N-[(2R)-1-oxo-1-phenylpent-4-en-2-yl]carbamate
CID 86614018
benzyl N-pent-4-en-2-ylcarbamate
CID 50916610
benzyl N-[1-(3-chlorophenyl)but-3-enyl]carbamate
CID 11438457
benzyl N-(6-methyl-5-oxohept-1-en-4-yl)carbamate
CID 10956741
benzyl N-[1-(prop-2-enylamino)pent-4-en-2-yl]carbamate
CID 155622758
(2S,3R)-2-(phenylmethoxycarbonylamino)-3-prop-2-enylbutanedioic acid
CID 10638414
benzyl N-(1-phenylhex-5-en-3-yl)carbamate
CID 11120434
benzyl N-[(2S,3S)-3-hydroxy-1-phenylhex-5-en-2-yl]carbamate
CID 10087705
benzyl N-[1-(4-oxo-3,1-benzoxazin-2-yl)-2-phenylethyl]carbamate
CID 100978788
(2S)-2-(phenylmethoxycarbonylamino)hex-5-enoic acid
CID 11311574

Frequently Asked Questions

What is the IUPAC name of benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate?
The IUPAC name of benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate (CID 54377108) is benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate.
What is the SMILES notation for benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate?
The canonical SMILES for benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate is C=CC[C@@H](NC(=O)OCc1ccccc1)c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate?
The InChIKey is UXHJYBFYSMKTGZ-HSZRJFAPSA-N. The full InChI is InChI=1S/C27H24N2O3/c1-2-12-23(28-27(30)31-19-20-13-6-3-7-14-20)26-29-24(21-15-8-4-9-16-21)25(32-26)22-17-10-5-11-18-22/h2-11,13-18,23H,1,12,19H2,(H,28,30)/t23-/m1/s1.
What are the key properties of benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate?
benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate has a molecular weight of 424.50 g/mol, XLogP of 6.55, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl N-[(1R)-1-(4,5-diphenyl-1,3-oxazol-2-yl)but-3-enyl]carbamate is sourced from PubChem (CID 54377108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).