4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol

C12H10N2O2 — CID 174517868

IUPAC4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol
SMILESCn1ccc2oc(-c3ccc(O)cc3)nc21
InChIInChI=1S/C12H10N2O2/c1-14-7-6-10-11(14)13-12(16-10)8-2-4-9(15)5-3-8/h2-7,15H,1H3
InChIKeyMAFCLRXHAYCONX-UHFFFAOYSA-N
MW214.22 g/mol
LogP2.54
Rot. Bonds1

About 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol

4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol (PubChem CID 174517868) has the molecular formula C12H10N2O2 and a molecular weight of 214.22 g/mol. Its IUPAC name is 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol.

Molecular Properties

Compound Name4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol
PubChem CID174517868
Molecular FormulaC12H10N2O2
Molecular Weight214.22 g/mol
Exact Mass214.07
IUPAC Name4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol
SMILESCn1ccc2oc(-c3ccc(O)cc3)nc21
InChIInChI=1S/C12H10N2O2/c1-14-7-6-10-11(14)13-12(16-10)8-2-4-9(15)5-3-8/h2-7,15H,1H3
InChIKeyMAFCLRXHAYCONX-UHFFFAOYSA-N
XLogP2.54
TPSA51.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.22
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol?
The IUPAC name of 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol (CID 174517868) is 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol.
What is the SMILES notation for 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol?
The canonical SMILES for 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol is Cn1ccc2oc(-c3ccc(O)cc3)nc21.
What is the InChIKey of 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol?
The InChIKey is MAFCLRXHAYCONX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N2O2/c1-14-7-6-10-11(14)13-12(16-10)8-2-4-9(15)5-3-8/h2-7,15H,1H3.
What are the key properties of 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol?
4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol has a molecular weight of 214.22 g/mol, XLogP of 2.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylpyrrolo[2,3-d][1,3]oxazol-2-yl)phenol is sourced from PubChem (CID 174517868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).