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

C13H9N5O4 — CID 69411190

IUPAC[4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Oc2cc(-c3nnco3)ncn2)cc1
InChIInChI=1S/C13H9N5O4/c19-13(20)17-8-1-3-9(4-2-8)22-11-5-10(14-6-15-11)12-18-16-7-21-12/h1-7,17H,(H,19,20)
InChIKeyIEVRJBMXYYBBRC-UHFFFAOYSA-N
MW299.25 g/mol
LogP2.41
Rot. Bonds4

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

[4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid (PubChem CID 69411190) has the molecular formula C13H9N5O4 and a molecular weight of 299.25 g/mol. Its IUPAC name is [4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid.

Molecular Properties

Compound Name[4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid
PubChem CID69411190
Molecular FormulaC13H9N5O4
Molecular Weight299.25 g/mol
Exact Mass299.07
IUPAC Name[4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid
SMILESO=C(O)Nc1ccc(Oc2cc(-c3nnco3)ncn2)cc1
InChIInChI=1S/C13H9N5O4/c19-13(20)17-8-1-3-9(4-2-8)22-11-5-10(14-6-15-11)12-18-16-7-21-12/h1-7,17H,(H,19,20)
InChIKeyIEVRJBMXYYBBRC-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

[3-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid
CID 69411494
N-(4-acetylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556222
2-[2-[4-(1,3,4-oxadiazol-2-yl)anilino]-2-oxoethoxy]acetic acid
CID 61329014
N-(3-fluoro-4-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7555932
N-(4-bromo-3-methylphenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 7556162
4-phenyl-N-[4-(6-pyrrol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122308856
1-[4-(6-aminopyrimidin-4-yl)oxyphenyl]-3-phenylurea;N-[6-[4-(phenylcarbamoylamino)phenoxy]pyrimidin-4-yl]acetamide
CID 158018338
tert-butyl N-[3-[6-(4-carbamoyl-1,3-oxazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamate
CID 58917280
3-(2-fluoro-5-methylphenyl)-1-methyl-1-[4-[[2-(1,3,4-oxadiazol-2-yl)-4-pyridinyl]oxy]phenyl]urea
CID 58917208
N-(3,5-difluorophenyl)-2-[4-(1,3,4-oxadiazol-2-yl)phenoxy]acetamide
CID 42368891
1-phenyl-3-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]urea
CID 122309674
4-phenyl-N-[4-(6-pyrazol-1-ylpyrimidin-4-yl)oxyphenyl]butanamide
CID 122309612

Frequently Asked Questions

What is the IUPAC name of [4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid?
The IUPAC name of [4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid (CID 69411190) is [4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid.
What is the SMILES notation for [4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid?
The canonical SMILES for [4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid is O=C(O)Nc1ccc(Oc2cc(-c3nnco3)ncn2)cc1.
What is the InChIKey of [4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid?
The InChIKey is IEVRJBMXYYBBRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5O4/c19-13(20)17-8-1-3-9(4-2-8)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 [4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid?
[4-[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 [4-[6-(1,3,4-oxadiazol-2-yl)pyrimidin-4-yl]oxyphenyl]carbamic acid is sourced from PubChem (CID 69411190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).