N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

C14H16N4O3 — CID 106416115

IUPACN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CNc3ccccc3O2)no1
InChIInChI=1S/C14H16N4O3/c1-9-17-13(18-21-9)6-7-15-14(19)12-8-16-10-4-2-3-5-11(10)20-12/h2-5,12,16H,6-8H2,1H3,(H,15,19)
InChIKeyLWIYJOMXKJGLTP-UHFFFAOYSA-N
MW288.31 g/mol
LogP0.91
Rot. Bonds4

About N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide

N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (PubChem CID 106416115) has the molecular formula C14H16N4O3 and a molecular weight of 288.31 g/mol. Its IUPAC name is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
PubChem CID106416115
Molecular FormulaC14H16N4O3
Molecular Weight288.31 g/mol
Exact Mass288.12
IUPAC NameN-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
SMILESCc1nc(CCNC(=O)C2CNc3ccccc3O2)no1
InChIInChI=1S/C14H16N4O3/c1-9-17-13(18-21-9)6-7-15-14(19)12-8-16-10-4-2-3-5-11(10)20-12/h2-5,12,16H,6-8H2,1H3,(H,15,19)
InChIKeyLWIYJOMXKJGLTP-UHFFFAOYSA-N
XLogP0.91
TPSA89.28 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.31
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106416373
N-(2-hydroxyethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43242556
N-(2-methylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 24706737
N-(2-pyrazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61460848
N-(2,5-dimethylpyrrol-1-yl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 79107400
N-(2-imidazol-1-ylethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 61324510
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]morpholine-2-carboxamide
CID 106416037
N-(3-pyrrolidin-1-ylpropyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43173377
N-(cyclobutylmethyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 43298737
tert-butyl 2-[[(2S)-3,4-dihydro-2H-1,4-benzoxazine-2-carbonyl]amino]acetate
CID 67626027
N-(4-hydroxy-2,2-dimethylbutyl)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide
CID 106147903
methyl (2R)-3,4-dihydro-2H-1,4-benzoxazine-2-carboxylate
CID 2090947

Frequently Asked Questions

What is the IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The IUPAC name of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide (CID 106416115) is N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide.
What is the SMILES notation for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The canonical SMILES for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is Cc1nc(CCNC(=O)C2CNc3ccccc3O2)no1.
What is the InChIKey of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
The InChIKey is LWIYJOMXKJGLTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O3/c1-9-17-13(18-21-9)6-7-15-14(19)12-8-16-10-4-2-3-5-11(10)20-12/h2-5,12,16H,6-8H2,1H3,(H,15,19).
What are the key properties of N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide?
N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide has a molecular weight of 288.31 g/mol, XLogP of 0.91, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethyl]-3,4-dihydro-2H-1,4-benzoxazine-2-carboxamide is sourced from PubChem (CID 106416115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).