5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

C16H16N6O5 — CID 118574743

IUPAC5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(COc1ccccc1-c1nnco1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C16H16N6O5/c1-8(19-14(24)12-11(17)13(23)21-16(25)20-12)6-26-10-5-3-2-4-9(10)15-22-18-7-27-15/h2-5,7-8H,6,17H2,1H3,(H,19,24)(H2,20,21,23,25)
InChIKeyRWVRKFUKZVCSJX-UHFFFAOYSA-N
MW372.34 g/mol
LogP-0.11
Rot. Bonds6

About 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide

5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (PubChem CID 118574743) has the molecular formula C16H16N6O5 and a molecular weight of 372.34 g/mol. Its IUPAC name is 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.

Molecular Properties

Compound Name5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
PubChem CID118574743
Molecular FormulaC16H16N6O5
Molecular Weight372.34 g/mol
Exact Mass372.12
IUPAC Name5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide
SMILESCC(COc1ccccc1-c1nnco1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N
InChIInChI=1S/C16H16N6O5/c1-8(19-14(24)12-11(17)13(23)21-16(25)20-12)6-26-10-5-3-2-4-9(10)15-22-18-7-27-15/h2-5,7-8H,6,17H2,1H3,(H,19,24)(H2,20,21,23,25)
InChIKeyRWVRKFUKZVCSJX-UHFFFAOYSA-N
XLogP-0.11
TPSA168.99 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.34
LogP ≤ 5-0.11
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The IUPAC name of 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide (CID 118574743) is 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide.
What is the SMILES notation for 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The canonical SMILES for 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is CC(COc1ccccc1-c1nnco1)NC(=O)c1[nH]c(=O)[nH]c(=O)c1N.
What is the InChIKey of 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
The InChIKey is RWVRKFUKZVCSJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N6O5/c1-8(19-14(24)12-11(17)13(23)21-16(25)20-12)6-26-10-5-3-2-4-9(10)15-22-18-7-27-15/h2-5,7-8H,6,17H2,1H3,(H,19,24)(H2,20,21,23,25).
What are the key properties of 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide?
5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide has a molecular weight of 372.34 g/mol, XLogP of -0.11, 6 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-[1-[2-(1,3,4-oxadiazol-2-yl)phenoxy]propan-2-yl]-2,4-dioxo-1H-pyrimidine-6-carboxamide is sourced from PubChem (CID 118574743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).