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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Related Compounds

2-(4-hydroxyphenyl)-4-methyl-1,3-benzoxazol-6-ol
CID 135830958
2-(4-hydroxyphenyl)-1,3-benzoxazole-4,6-diol
CID 135830961
4-(6-phenyl-[1,3]oxazolo[4,5-f][1,3]benzoxazol-2-yl)phenol
CID 143547585
4-(5-ethyl-1,3-benzoxazol-2-yl)phenol
CID 136658114
6-bromo-2-(4-hydroxyphenyl)-1,3-benzoxazol-5-ol
CID 135830954
4-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]phenyl]phenol
CID 135985215
2-(4-hydroxyphenyl)-1,3-benzoxazole-5-carboxylic acid
CID 136693571
2-(4-fluorophenyl)-1,3-benzoxazol-5-ol
CID 3625866
4-(5-amino-4,6-dibromo-1,3-benzoxazol-2-yl)phenol
CID 135958578
4-(3-methyl-1,2,4-oxadiazol-5-yl)phenol
CID 3692407
2-[4-(2-methoxyphenyl)phenyl]-1,3-benzoxazol-5-ol
CID 118228942
4-(1,2-dimethylimidazol-4-yl)phenol
CID 138679602

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).