7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one

C15H16N4O3 — CID 138052378

IUPAC7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cccc(CNc3nnc(C4CCCC4)o3)c2o1
InChIInChI=1S/C15H16N4O3/c20-15-17-11-7-3-6-10(12(11)21-15)8-16-14-19-18-13(22-14)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,19)(H,17,20)
InChIKeyPJHPAESJMMVVIU-UHFFFAOYSA-N
MW300.32 g/mol
LogP2.77
Rot. Bonds4

About 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one

7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one (PubChem CID 138052378) has the molecular formula C15H16N4O3 and a molecular weight of 300.32 g/mol. Its IUPAC name is 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one
PubChem CID138052378
Molecular FormulaC15H16N4O3
Molecular Weight300.32 g/mol
Exact Mass300.12
IUPAC Name7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one
SMILESO=c1[nH]c2cccc(CNc3nnc(C4CCCC4)o3)c2o1
InChIInChI=1S/C15H16N4O3/c20-15-17-11-7-3-6-10(12(11)21-15)8-16-14-19-18-13(22-14)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,19)(H,17,20)
InChIKeyPJHPAESJMMVVIU-UHFFFAOYSA-N
XLogP2.77
TPSA96.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.32
LogP ≤ 52.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one (CID 138052378) is 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one is O=c1[nH]c2cccc(CNc3nnc(C4CCCC4)o3)c2o1.
What is the InChIKey of 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is PJHPAESJMMVVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O3/c20-15-17-11-7-3-6-10(12(11)21-15)8-16-14-19-18-13(22-14)9-4-1-2-5-9/h3,6-7,9H,1-2,4-5,8H2,(H,16,19)(H,17,20).
What are the key properties of 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one?
7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 300.32 g/mol, XLogP of 2.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[(5-cyclopentyl-1,3,4-oxadiazol-2-yl)amino]methyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 138052378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).