[4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate

C19H17NO3 — CID 102392386

IUPAC[4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C19H17NO3/c1-2-18(21)22-12-14-8-10-16(11-9-14)19-20-17(13-23-19)15-6-4-3-5-7-15/h2-11,17H,1,12-13H2/t17-/m1/s1
InChIKeyYEZMYLCTAMRLCG-QGZVFWFLSA-N
MW307.35 g/mol
LogP3.43
Rot. Bonds5

About [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate

[4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate (PubChem CID 102392386) has the molecular formula C19H17NO3 and a molecular weight of 307.35 g/mol. Its IUPAC name is [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate.

Molecular Properties

Compound Name[4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate
PubChem CID102392386
Molecular FormulaC19H17NO3
Molecular Weight307.35 g/mol
Exact Mass307.12
IUPAC Name[4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate
SMILESC=CC(=O)OCc1ccc(C2=N[C@@H](c3ccccc3)CO2)cc1
InChIInChI=1S/C19H17NO3/c1-2-18(21)22-12-14-8-10-16(11-9-14)19-20-17(13-23-19)15-6-4-3-5-7-15/h2-11,17H,1,12-13H2/t17-/m1/s1
InChIKeyYEZMYLCTAMRLCG-QGZVFWFLSA-N
XLogP3.43
TPSA47.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.35
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

benzyl (4S)-2-phenyl-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201142
benzyl prop-2-enoate;but-2-enedioic acid
CID 70273802
benzyl prop-2-enoate;2-phenylethyl prop-2-enoate
CID 159252010
(4R)-4-phenyl-2-[5-[(4R)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]-3-pyridinyl]-4,5-dihydro-1,3-oxazole
CID 166067950
[4-[4-(prop-2-enoyloxymethyl)benzoyl]phenyl]methyl prop-2-enoate
CID 171722962
benzyl prop-2-enoate;ethyl(trimethoxy)silane
CID 174910420
2-[(4-fluorophenyl)methyl]-5-[3-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]-1-benzofuran-3-carboxamide
CID 90948413
benzyl (4S)-2-(3-chlorophenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201175
2-(4-phenyloxetan-2-yl)ethyl prop-2-enoate
CID 141157512
2-(2,6-difluorophenyl)-4-[4-(phenoxymethyl)phenyl]-4,5-dihydro-1,3-oxazole
CID 167550722
4-(4-chlorophenyl)-2-[4-[4-(4-chlorophenyl)-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-4,5-dihydro-1,3-oxazole
CID 67533408
benzyl (4S)-2-(3-fluoro-4-phenylmethoxyphenyl)-4,5-dihydro-1,3-oxazole-4-carboxylate
CID 46201338

Frequently Asked Questions

What is the IUPAC name of [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate?
The IUPAC name of [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate (CID 102392386) is [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate.
What is the SMILES notation for [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate?
The canonical SMILES for [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate is C=CC(=O)OCc1ccc(C2=N[C@@H](c3ccccc3)CO2)cc1.
What is the InChIKey of [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate?
The InChIKey is YEZMYLCTAMRLCG-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H17NO3/c1-2-18(21)22-12-14-8-10-16(11-9-14)19-20-17(13-23-19)15-6-4-3-5-7-15/h2-11,17H,1,12-13H2/t17-/m1/s1.
What are the key properties of [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate?
[4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate has a molecular weight of 307.35 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(4S)-4-phenyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]methyl prop-2-enoate is sourced from PubChem (CID 102392386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).