N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide

C14H17N3O2 — CID 667102

IUPACN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C14H17N3O2/c1-2-3-14(18)15-10-4-5-12-11(8-10)16-13-9-19-7-6-17(12)13/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,18)
InChIKeyVOGPWBLSNZXCNF-UHFFFAOYSA-N
MW259.31 g/mol
LogP2.31
Rot. Bonds3

About N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide

N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide (PubChem CID 667102) has the molecular formula C14H17N3O2 and a molecular weight of 259.31 g/mol. Its IUPAC name is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide.

Molecular Properties

Compound NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide
PubChem CID667102
Molecular FormulaC14H17N3O2
Molecular Weight259.31 g/mol
Exact Mass259.13
IUPAC NameN-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide
SMILESCCCC(=O)Nc1ccc2c(c1)nc1n2CCOC1
InChIInChI=1S/C14H17N3O2/c1-2-3-14(18)15-10-4-5-12-11(8-10)16-13-9-19-7-6-17(12)13/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,18)
InChIKeyVOGPWBLSNZXCNF-UHFFFAOYSA-N
XLogP2.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.31
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide?
The IUPAC name of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide (CID 667102) is N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide.
What is the SMILES notation for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide?
The canonical SMILES for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide is CCCC(=O)Nc1ccc2c(c1)nc1n2CCOC1.
What is the InChIKey of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide?
The InChIKey is VOGPWBLSNZXCNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2/c1-2-3-14(18)15-10-4-5-12-11(8-10)16-13-9-19-7-6-17(12)13/h4-5,8H,2-3,6-7,9H2,1H3,(H,15,18).
What are the key properties of N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide?
N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide has a molecular weight of 259.31 g/mol, XLogP of 2.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dihydro-1H-[1,4]oxazino[4,3-a]benzimidazol-8-yl)butanamide is sourced from PubChem (CID 667102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).