[3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid

C13H9N5O4 — CID 69411494

IUPAC[3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid
SMILESO=C(O)Nc1cccc(Oc2cc(-c3nnco3)ncn2)c1
InChIInChI=1S/C13H9N5O4/c19-13(20)17-8-2-1-3-9(4-8)22-11-5-10(14-6-15-11)12-18-16-7-21-12/h1-7,17H,(H,19,20)
InChIKeyZBCHWIFLFVPYLC-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.41
Rot. Bonds4

About [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid

[3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid (PubChem CID 69411494) has the molecular formula C13H9N5O4 and a molecular weight of 299.25 g/mol. Its IUPAC name is [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid.

Molecular Properties

Compound Name[3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid
PubChem CID69411494
Molecular FormulaC13H9N5O4
Molecular Weight299.25 g/mol
Exact Mass299.07
IUPAC Name[3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid
SMILESO=C(O)Nc1cccc(Oc2cc(-c3nnco3)ncn2)c1
InChIInChI=1S/C13H9N5O4/c19-13(20)17-8-2-1-3-9(4-8)22-11-5-10(14-6-15-11)12-18-16-7-21-12/h1-7,17H,(H,19,20)
InChIKeyZBCHWIFLFVPYLC-UHFFFAOYSA-N
XLogP2.41
TPSA123.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.25
LogP ≤ 52.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid
CID 69411190
tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 58917280
3,4,5-triethoxy-N-[3-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]benzamide
CID 23649282
N-[3-[6-(1,3-oxazol-4-yl)pyrimidin-4-yl]oxyphenyl]pyridine-2-carboxamide
CID 143499712
N-(3-methoxyphenyl)-3-(6-phenylpyrimidin-4-yl)oxybenzamide
CID 53021368
2-[3-(1,3,4-oxadiazol-2-yl)phenoxy]acetic acid
CID 39103097
N-(3-methylsulfanylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556268
[3-(4-bromophenoxy)phenyl]carbamic acid
CID 138629295
1-(3-ethynylphenyl)-3-[3-[6-(1-methylpyrazol-4-yl)pyrimidin-4-yl]oxyphenyl]urea
CID 58917229
2-chloro-N-[3-(6-morpholin-4-ylpyrimidin-4-yl)oxyphenyl]acetamide
CID 171348439
N-(3,5-dimethylphenyl)-4-[6-(3-methoxyphenoxy)pyrimidin-4-yl]benzamide
CID 53115112
2,4-dimethyl-N-(3-pyridazin-3-yloxyphenyl)-1,3-oxazole-5-carboxamide
CID 71975946

Frequently Asked Questions

What is the IUPAC name of [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid?
The IUPAC name of [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid (CID 69411494) is [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid.
What is the SMILES notation for [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid?
The canonical SMILES for [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid is O=C(O)Nc1cccc(Oc2cc(-c3nnco3)ncn2)c1.
What is the InChIKey of [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid?
The InChIKey is ZBCHWIFLFVPYLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O4/c19-13(20)17-8-2-1-3-9(4-8)22-11-5-10(14-6-15-11)12-18-16-7-21-12/h1-7,17H,(H,19,20).
What are the key properties of [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid?
[3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid has a molecular weight of 299.25 g/mol, XLogP of 2.41, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid is sourced from PubChem (CID 69411494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).