N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide

C14H18N2O3 — CID 67786397

IUPACN-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C14H18N2O3/c1-2-3-4-13(18)15-8-7-14-16-11-6-5-10(17)9-12(11)19-14/h5-6H,2-4,7-9H2,1H3,(H,15,18)
InChIKeyYRBKLFQLIFKMSZ-UHFFFAOYSA-N
MW262.31 g/mol
LogP1.66
Rot. Bonds6

About N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide

N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide (PubChem CID 67786397) has the molecular formula C14H18N2O3 and a molecular weight of 262.31 g/mol. Its IUPAC name is N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide
PubChem CID67786397
Molecular FormulaC14H18N2O3
Molecular Weight262.31 g/mol
Exact Mass262.13
IUPAC NameN-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide
SMILESCCCCC(=O)NCCc1nc2c(o1)CC(=O)C=C2
InChIInChI=1S/C14H18N2O3/c1-2-3-4-13(18)15-8-7-14-16-11-6-5-10(17)9-12(11)19-14/h5-6H,2-4,7-9H2,1H3,(H,15,18)
InChIKeyYRBKLFQLIFKMSZ-UHFFFAOYSA-N
XLogP1.66
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.31
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide?
The IUPAC name of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide (CID 67786397) is N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide.
What is the SMILES notation for N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide?
The canonical SMILES for N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide is CCCCC(=O)NCCc1nc2c(o1)CC(=O)C=C2.
What is the InChIKey of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide?
The InChIKey is YRBKLFQLIFKMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3/c1-2-3-4-13(18)15-8-7-14-16-11-6-5-10(17)9-12(11)19-14/h5-6H,2-4,7-9H2,1H3,(H,15,18).
What are the key properties of N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide?
N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide has a molecular weight of 262.31 g/mol, XLogP of 1.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(6-oxo-7H-1,3-benzoxazol-2-yl)ethyl]pentanamide is sourced from PubChem (CID 67786397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).