N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide

C15H16N4O4 — CID 126810001

IUPACN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCc1noc(C(C)(C)NC(=O)c2cccc3c2OCC(=O)N3)n1
InChIInChI=1S/C15H16N4O4/c1-8-16-14(23-19-8)15(2,3)18-13(21)9-5-4-6-10-12(9)22-7-11(20)17-10/h4-6H,7H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyRWCACFRLMPRNMJ-UHFFFAOYSA-N
MW316.32 g/mol
LogP1.37
Rot. Bonds3

About N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide (PubChem CID 126810001) has the molecular formula C15H16N4O4 and a molecular weight of 316.32 g/mol. Its IUPAC name is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
PubChem CID126810001
Molecular FormulaC15H16N4O4
Molecular Weight316.32 g/mol
Exact Mass316.12
IUPAC NameN-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide
SMILESCc1noc(C(C)(C)NC(=O)c2cccc3c2OCC(=O)N3)n1
InChIInChI=1S/C15H16N4O4/c1-8-16-14(23-19-8)15(2,3)18-13(21)9-5-4-6-10-12(9)22-7-11(20)17-10/h4-6H,7H2,1-3H3,(H,17,20)(H,18,21)
InChIKeyRWCACFRLMPRNMJ-UHFFFAOYSA-N
XLogP1.37
TPSA106.35 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.32
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The IUPAC name of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide (CID 126810001) is N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide.
What is the SMILES notation for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The canonical SMILES for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide is Cc1noc(C(C)(C)NC(=O)c2cccc3c2OCC(=O)N3)n1.
What is the InChIKey of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
The InChIKey is RWCACFRLMPRNMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O4/c1-8-16-14(23-19-8)15(2,3)18-13(21)9-5-4-6-10-12(9)22-7-11(20)17-10/h4-6H,7H2,1-3H3,(H,17,20)(H,18,21).
What are the key properties of N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide?
N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide has a molecular weight of 316.32 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)propan-2-yl]-3-oxo-4H-1,4-benzoxazine-8-carboxamide is sourced from PubChem (CID 126810001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).