6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one

C14H17N3O4 — CID 115425820

IUPAC6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one
SMILESNc1cc2oc(=O)[nH]c2cc1N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H17N3O4/c15-9-6-12-10(16-13(18)21-12)7-11(9)17-3-1-2-14(8-17)19-4-5-20-14/h6-7H,1-5,8,15H2,(H,16,18)
InChIKeyDHLYFFBMEMLGAX-UHFFFAOYSA-N
MW291.31 g/mol
LogP1.05
Rot. Bonds1

About 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one

6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one (PubChem CID 115425820) has the molecular formula C14H17N3O4 and a molecular weight of 291.31 g/mol. Its IUPAC name is 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one
PubChem CID115425820
Molecular FormulaC14H17N3O4
Molecular Weight291.31 g/mol
Exact Mass291.12
IUPAC Name6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one
SMILESNc1cc2oc(=O)[nH]c2cc1N1CCCC2(C1)OCCO2
InChIInChI=1S/C14H17N3O4/c15-9-6-12-10(16-13(18)21-12)7-11(9)17-3-1-2-14(8-17)19-4-5-20-14/h6-7H,1-5,8,15H2,(H,16,18)
InChIKeyDHLYFFBMEMLGAX-UHFFFAOYSA-N
XLogP1.05
TPSA93.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.31
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 24206222
CID 24206222
CID 137443506
CID 137443506
CID 105642120
CID 105642120
CID 105642470
CID 105642470
CID 105906520
CID 105906520
CID 105927803
CID 105927803
CID 106289856
CID 106289856
CID 107478207
CID 107478207
CID 107478373
CID 107478373
CID 113307418
CID 113307418
CID 114152939
CID 114152939
CID 115425054
CID 115425054

Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one?
The IUPAC name of 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one (CID 115425820) is 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one is Nc1cc2oc(=O)[nH]c2cc1N1CCCC2(C1)OCCO2.
What is the InChIKey of 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one?
The InChIKey is DHLYFFBMEMLGAX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4/c15-9-6-12-10(16-13(18)21-12)7-11(9)17-3-1-2-14(8-17)19-4-5-20-14/h6-7H,1-5,8,15H2,(H,16,18).
What are the key properties of 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one?
6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one has a molecular weight of 291.31 g/mol, XLogP of 1.05, 1 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(1,4-dioxa-9-azaspiro[4.5]decan-9-yl)-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 115425820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).