6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one

C15H22N4O2 — CID 115425364

IUPAC6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCCCN1CCC(Nc2cc3[nH]c(=O)oc3cc2N)CC1
InChIInChI=1S/C15H22N4O2/c1-2-5-19-6-3-10(4-7-19)17-12-9-13-14(8-11(12)16)21-15(20)18-13/h8-10,17H,2-7,16H2,1H3,(H,18,20)
InChIKeySNTHYVJOEXEDAL-UHFFFAOYSA-N
MW290.37 g/mol
LogP1.99
Rot. Bonds4

About 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one

6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one (PubChem CID 115425364) has the molecular formula C15H22N4O2 and a molecular weight of 290.37 g/mol. Its IUPAC name is 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
PubChem CID115425364
Molecular FormulaC15H22N4O2
Molecular Weight290.37 g/mol
Exact Mass290.17
IUPAC Name6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one
SMILESCCCN1CCC(Nc2cc3[nH]c(=O)oc3cc2N)CC1
InChIInChI=1S/C15H22N4O2/c1-2-5-19-6-3-10(4-7-19)17-12-9-13-14(8-11(12)16)21-15(20)18-13/h8-10,17H,2-7,16H2,1H3,(H,18,20)
InChIKeySNTHYVJOEXEDAL-UHFFFAOYSA-N
XLogP1.99
TPSA87.29 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.37
LogP ≤ 51.99
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one (CID 115425364) is 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one is CCCN1CCC(Nc2cc3[nH]c(=O)oc3cc2N)CC1.
What is the InChIKey of 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
The InChIKey is SNTHYVJOEXEDAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N4O2/c1-2-5-19-6-3-10(4-7-19)17-12-9-13-14(8-11(12)16)21-15(20)18-13/h8-10,17H,2-7,16H2,1H3,(H,18,20).
What are the key properties of 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one?
6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one has a molecular weight of 290.37 g/mol, XLogP of 1.99, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-[(1-propylpiperidin-4-yl)amino]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).