(Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid

C15H15NO4 — CID 97301415

IUPAC(Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
SMILESCc1noc(C)c1COc1cccc(/C=C\C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-10-14(11(2)20-16-10)9-19-13-5-3-4-12(8-13)6-7-15(17)18/h3-8H,9H2,1-2H3,(H,17,18)/b7-6-
InChIKeyMBDDLNNABZOTND-SREVYHEPSA-N
MW273.29 g/mol
LogP2.97
Rot. Bonds5

About (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid

(Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid (PubChem CID 97301415) has the molecular formula C15H15NO4 and a molecular weight of 273.29 g/mol. Its IUPAC name is (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid.

Molecular Properties

Compound Name(Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
PubChem CID97301415
Molecular FormulaC15H15NO4
Molecular Weight273.29 g/mol
Exact Mass273.10
IUPAC Name(Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
SMILESCc1noc(C)c1COc1cccc(/C=C\C(=O)O)c1
InChIInChI=1S/C15H15NO4/c1-10-14(11(2)20-16-10)9-19-13-5-3-4-12(8-13)6-7-15(17)18/h3-8H,9H2,1-2H3,(H,17,18)/b7-6-
InChIKeyMBDDLNNABZOTND-SREVYHEPSA-N
XLogP2.97
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.29
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(Z)-3-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid
CID 97305645
(E)-3-[3-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]phenyl]prop-2-enoic acid
CID 29018302
(E)-3-[2-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methylphenyl]prop-2-enoic acid
CID 115957207
5-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-methylbenzoic acid
CID 82165950
(E)-3-[3-[(E)-3-chloroprop-2-enoxy]phenyl]prop-2-enoic acid
CID 29018429
3-(3-butoxyphenyl)prop-2-enoic acid
CID 54374126
(E)-3-[3-[(5-fluoro-2-methylphenyl)methoxy]phenyl]prop-2-enoic acid
CID 105372222
(E)-3-[3-[(4-fluorophenyl)methoxy]phenyl]prop-2-enoic acid
CID 42201925
4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-2-hydroxybenzoic acid
CID 10264729
3-(3-prop-2-enoxyphenyl)prop-2-enoic acid
CID 74580611
cyanomethyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoate
CID 2637058
(E)-3-[3-(3,3-dimethylbutoxy)phenyl]prop-2-enoic acid
CID 94208108

Frequently Asked Questions

What is the IUPAC name of (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid?
The IUPAC name of (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid (CID 97301415) is (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid.
What is the SMILES notation for (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid?
The canonical SMILES for (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid is Cc1noc(C)c1COc1cccc(/C=C\C(=O)O)c1.
What is the InChIKey of (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid?
The InChIKey is MBDDLNNABZOTND-SREVYHEPSA-N. The full InChI is InChI=1S/C15H15NO4/c1-10-14(11(2)20-16-10)9-19-13-5-3-4-12(8-13)6-7-15(17)18/h3-8H,9H2,1-2H3,(H,17,18)/b7-6-.
What are the key properties of (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid?
(Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid has a molecular weight of 273.29 g/mol, XLogP of 2.97, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-3-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]prop-2-enoic acid is sourced from PubChem (CID 97301415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).