(Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid

C10H7NO4 — CID 135435078

IUPAC(Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1nc2ccccc2o1
InChIInChI=1S/C10H7NO4/c12-7(10(13)14)5-9-11-6-3-1-2-4-8(6)15-9/h1-5,12H,(H,13,14)/b7-5-
InChIKeyKHMKFDNDGVXSJQ-ALCCZGGFSA-N
MW205.17 g/mol
LogP1.81
Rot. Bonds2

About (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid

(Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid (PubChem CID 135435078) has the molecular formula C10H7NO4 and a molecular weight of 205.17 g/mol. Its IUPAC name is (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid
PubChem CID135435078
Molecular FormulaC10H7NO4
Molecular Weight205.17 g/mol
Exact Mass205.04
IUPAC Name(Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid
SMILESO=C(O)/C(O)=C/c1nc2ccccc2o1
InChIInChI=1S/C10H7NO4/c12-7(10(13)14)5-9-11-6-3-1-2-4-8(6)15-9/h1-5,12H,(H,13,14)/b7-5-
InChIKeyKHMKFDNDGVXSJQ-ALCCZGGFSA-N
XLogP1.81
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500205.17
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

[2-(1,3-benzoxazol-2-yl)-1-phenylethenyl] benzoate
CID 76543899
2-[2-[3,5,6-tris[2-(1,3-benzoxazol-2-yl)ethenyl]pyrazin-2-yl]ethenyl]-1,3-benzoxazole
CID 57286159
(Z)-2-(1,3-benzoxazol-2-ylsulfanyl)-3-phenylprop-2-enoic acid
CID 124657884
2-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]-methylamino]acetic acid
CID 43356239
3-(1,3-benzoxazol-2-ylmethylidene)-1H-indol-2-one
CID 78015919
ethyl (Z)-3-(1,3-benzoxazol-2-yl)prop-2-enoate
CID 153326017
(E)-3-(1,3-benzoxazol-2-yl)-N-phenylmethoxyprop-2-enamide
CID 32578190
3-[3-(1,3-benzoxazol-2-yl)prop-2-enoylamino]-3-methylbutanoic acid
CID 77058394
3-[[(E)-3-(1,3-benzoxazol-2-yl)prop-2-enoyl]amino]butanoic acid
CID 43360838
(E)-3-(1,3-benzoxazol-2-yl)-N-(2-phenylphenyl)prop-2-enamide
CID 78801989
(E)-3-(1,3-benzoxazol-2-yl)-N-pyridin-4-ylprop-2-enamide
CID 39471728
N-(2-amino-2-oxoethyl)-3-(1,3-benzoxazol-2-yl)prop-2-enamide
CID 76873687

Frequently Asked Questions

What is the IUPAC name of (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid?
The IUPAC name of (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid (CID 135435078) is (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid.
What is the SMILES notation for (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid?
The canonical SMILES for (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid is O=C(O)/C(O)=C/c1nc2ccccc2o1.
What is the InChIKey of (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid?
The InChIKey is KHMKFDNDGVXSJQ-ALCCZGGFSA-N. The full InChI is InChI=1S/C10H7NO4/c12-7(10(13)14)5-9-11-6-3-1-2-4-8(6)15-9/h1-5,12H,(H,13,14)/b7-5-.
What are the key properties of (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid?
(Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid has a molecular weight of 205.17 g/mol, XLogP of 1.81, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-(1,3-benzoxazol-2-yl)-2-hydroxyprop-2-enoic acid is sourced from PubChem (CID 135435078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).