methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid

C16H15NO3 — CID 70358375

IUPACmethane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid
SMILESC.O=C(O)Cc1ccc2c(-c3ccccc3)onc2c1
InChIInChI=1S/C15H11NO3.CH4/c17-14(18)9-10-6-7-12-13(8-10)16-19-15(12)11-4-2-1-3-5-11;/h1-8H,9H2,(H,17,18);1H4
InChIKeyUGZVIALALBAJOK-UHFFFAOYSA-N
MW269.30 g/mol
LogP3.76
Rot. Bonds3

About methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid

methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid (PubChem CID 70358375) has the molecular formula C16H15NO3 and a molecular weight of 269.30 g/mol. Its IUPAC name is methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid.

Molecular Properties

Compound Namemethane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid
PubChem CID70358375
Molecular FormulaC16H15NO3
Molecular Weight269.30 g/mol
Exact Mass269.11
IUPAC Namemethane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid
SMILESC.O=C(O)Cc1ccc2c(-c3ccccc3)onc2c1
InChIInChI=1S/C15H11NO3.CH4/c17-14(18)9-10-6-7-12-13(8-10)16-19-15(12)11-4-2-1-3-5-11;/h1-8H,9H2,(H,17,18);1H4
InChIKeyUGZVIALALBAJOK-UHFFFAOYSA-N
XLogP3.76
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 53.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid?
The IUPAC name of methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid (CID 70358375) is methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid.
What is the SMILES notation for methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid?
The canonical SMILES for methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid is C.O=C(O)Cc1ccc2c(-c3ccccc3)onc2c1.
What is the InChIKey of methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid?
The InChIKey is UGZVIALALBAJOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11NO3.CH4/c17-14(18)9-10-6-7-12-13(8-10)16-19-15(12)11-4-2-1-3-5-11;/h1-8H,9H2,(H,17,18);1H4.
What are the key properties of methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid?
methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid has a molecular weight of 269.30 g/mol, XLogP of 3.76, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methane;2-(3-phenyl-2,1-benzoxazol-6-yl)acetic acid is sourced from PubChem (CID 70358375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).