3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide

C14H16N4O3 — CID 64892717

IUPAC3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide
SMILESCc1nnc(-c2ccccc2NC(=O)C2(N)CCOC2)o1
InChIInChI=1S/C14H16N4O3/c1-9-17-18-12(21-9)10-4-2-3-5-11(10)16-13(19)14(15)6-7-20-8-14/h2-5H,6-8,15H2,1H3,(H,16,19)
InChIKeyZJPDCUQOPTZZHK-UHFFFAOYSA-N
MW288.31 g/mol
LogP1.10
Rot. Bonds3

About 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide

3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide (PubChem CID 64892717) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide
PubChem CID64892717
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC Name3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide
SMILESCc1nnc(-c2ccccc2NC(=O)C2(N)CCOC2)o1
InChIInChI=1S/C14H16N4O3/c1-9-17-18-12(21-9)10-4-2-3-5-11(10)16-13(19)14(15)6-7-20-8-14/h2-5H,6-8,15H2,1H3,(H,16,19)
InChIKeyZJPDCUQOPTZZHK-UHFFFAOYSA-N
XLogP1.10
TPSA103.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide (CID 64892717) is 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide is Cc1nnc(-c2ccccc2NC(=O)C2(N)CCOC2)o1.
What is the InChIKey of 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide?
The InChIKey is ZJPDCUQOPTZZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-17-18-12(21-9)10-4-2-3-5-11(10)16-13(19)14(15)6-7-20-8-14/h2-5H,6-8,15H2,1H3,(H,16,19).
What are the key properties of 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide?
3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 1.10, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[2-(5-methyl-1,3,4-oxadiazol-2-yl)phenyl]oxolane-3-carboxamide is sourced from PubChem (CID 64892717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).