2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid

C16H17NO3 — CID 13282954

IUPAC2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid
SMILESCC(C)c1oc(/C=C/c2ccccc2)nc1CC(=O)O
InChIInChI=1S/C16H17NO3/c1-11(2)16-13(10-15(18)19)17-14(20-16)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19)/b9-8+
InChIKeyXCKSYZGZUWJICQ-CMDGGOBGSA-N
MW271.32 g/mol
LogP3.60
Rot. Bonds5

About 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid

2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid (PubChem CID 13282954) has the molecular formula C16H17NO3 and a molecular weight of 271.32 g/mol. Its IUPAC name is 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid.

Molecular Properties

Compound Name2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid
PubChem CID13282954
Molecular FormulaC16H17NO3
Molecular Weight271.32 g/mol
Exact Mass271.12
IUPAC Name2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid
SMILESCC(C)c1oc(/C=C/c2ccccc2)nc1CC(=O)O
InChIInChI=1S/C16H17NO3/c1-11(2)16-13(10-15(18)19)17-14(20-16)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19)/b9-8+
InChIKeyXCKSYZGZUWJICQ-CMDGGOBGSA-N
XLogP3.60
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.32
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 22933228
ethyl 2-[5-methyl-2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 102525602
methyl 5-methyl-2-(2-phenylethenyl)-1,3-oxazole-4-carboxylate
CID 139896442
2-(4-ethyl-5-propan-2-yl-1,3-oxazol-2-yl)acetic acid
CID 105450621
acetic acid;stilbene
CID 172803728
5-(2-methylpropyl)-2-(2-phenylethenyl)thieno[2,3-d][1,3]oxazin-4-one
CID 4046501
[2-[(E)-2-phenylethenyl]-1,3-oxazol-5-yl]methyl acetate
CID 46201506
[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]methyl acetate
CID 102529485
2-[2,3-bis(carboxymethyl)-5-[(E)-2-phenylethenyl]phenyl]acetic acid
CID 122584891
ethyl 2-[2-[(E)-2-phenylethenyl]-1,3-oxazol-4-yl]acetate
CID 58334161
benzyl 2-[(E)-2-phenylethenyl]-4,5,6,7-tetrahydro-1,3-benzoxazole-6-carboxylate
CID 146250671
2,4-dimethyl-6-phenylhexa-2,5-dienoic acid
CID 69226744

Frequently Asked Questions

What is the IUPAC name of 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid?
The IUPAC name of 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid (CID 13282954) is 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid.
What is the SMILES notation for 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid?
The canonical SMILES for 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid is CC(C)c1oc(/C=C/c2ccccc2)nc1CC(=O)O.
What is the InChIKey of 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid?
The InChIKey is XCKSYZGZUWJICQ-CMDGGOBGSA-N. The full InChI is InChI=1S/C16H17NO3/c1-11(2)16-13(10-15(18)19)17-14(20-16)9-8-12-6-4-3-5-7-12/h3-9,11H,10H2,1-2H3,(H,18,19)/b9-8+.
What are the key properties of 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid?
2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid has a molecular weight of 271.32 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(E)-2-phenylethenyl]-5-propan-2-yl-1,3-oxazol-4-yl]acetic acid is sourced from PubChem (CID 13282954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).