2-phenyl-1,3-benzoxazole-4-carbaldehyde

C14H9NO2 — CID 15005905

IUPAC2-phenyl-1,3-benzoxazole-4-carbaldehyde
SMILESO=Cc1cccc2oc(-c3ccccc3)nc12
InChIInChI=1S/C14H9NO2/c16-9-11-7-4-8-12-13(11)15-14(17-12)10-5-2-1-3-6-10/h1-9H
InChIKeySYWDFIADYXEEIQ-UHFFFAOYSA-N
MW223.23 g/mol
LogP3.31
Rot. Bonds2

About 2-phenyl-1,3-benzoxazole-4-carbaldehyde

2-phenyl-1,3-benzoxazole-4-carbaldehyde (PubChem CID 15005905) has the molecular formula C14H9NO2 and a molecular weight of 223.23 g/mol. Its IUPAC name is 2-phenyl-1,3-benzoxazole-4-carbaldehyde.

Molecular Properties

Compound Name2-phenyl-1,3-benzoxazole-4-carbaldehyde
PubChem CID15005905
Molecular FormulaC14H9NO2
Molecular Weight223.23 g/mol
Exact Mass223.06
IUPAC Name2-phenyl-1,3-benzoxazole-4-carbaldehyde
SMILESO=Cc1cccc2oc(-c3ccccc3)nc12
InChIInChI=1S/C14H9NO2/c16-9-11-7-4-8-12-13(11)15-14(17-12)10-5-2-1-3-6-10/h1-9H
InChIKeySYWDFIADYXEEIQ-UHFFFAOYSA-N
XLogP3.31
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.23
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1,3-benzoxazole-2,4-dicarbaldehyde
CID 119010642
2-methoxy-1,3-benzoxazole-4-carbaldehyde
CID 117274008
4-(4-amino-1,3-benzoxazol-2-yl)benzaldehyde
CID 87406468
2-(4-formyl-1,3-benzoxazol-2-yl)-2-hydroxyacetic acid
CID 118820239
4-methyl-2-[4-(3-phenylphenyl)phenyl]-1,3-benzoxazole
CID 163632646
4-phenyl-2-[2-[(E)-2-phenylethenyl]phenyl]-1,3-benzoxazole
CID 22377866
4-[4-[2-(4-phenylphenyl)-1,3-benzoxazol-4-yl]phenyl]benzonitrile
CID 175190264
2-(3-iodophenyl)-1,3-benzoxazole-4-carboxylic acid
CID 81345889
carbonyl difluoride;2-phenyl-1,3-benzoxazole
CID 158063385
2-phenyl-4-[3-[6-phenyl-2-(4-phenylphenyl)pyrimidin-4-yl]phenyl]-1,3-benzoxazole
CID 147571210
2-[4-[2-[4-(4-carboxy-1,3-benzoxazol-2-yl)phenyl]-1,1,1,3,3,3-hexafluoropropan-2-yl]phenyl]-1,3-benzoxazole-4-carboxylic acid
CID 162354685
2-pyridin-4-yl-1,3-benzoxazol-4-amine
CID 79022529

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-1,3-benzoxazole-4-carbaldehyde?
The IUPAC name of 2-phenyl-1,3-benzoxazole-4-carbaldehyde (CID 15005905) is 2-phenyl-1,3-benzoxazole-4-carbaldehyde.
What is the SMILES notation for 2-phenyl-1,3-benzoxazole-4-carbaldehyde?
The canonical SMILES for 2-phenyl-1,3-benzoxazole-4-carbaldehyde is O=Cc1cccc2oc(-c3ccccc3)nc12.
What is the InChIKey of 2-phenyl-1,3-benzoxazole-4-carbaldehyde?
The InChIKey is SYWDFIADYXEEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9NO2/c16-9-11-7-4-8-12-13(11)15-14(17-12)10-5-2-1-3-6-10/h1-9H.
What are the key properties of 2-phenyl-1,3-benzoxazole-4-carbaldehyde?
2-phenyl-1,3-benzoxazole-4-carbaldehyde has a molecular weight of 223.23 g/mol, XLogP of 3.31, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-1,3-benzoxazole-4-carbaldehyde is sourced from PubChem (CID 15005905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).