7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one

C16H18N2O4 — CID 164632623

IUPAC7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one
SMILESC[C@H]1CN(C(=O)c2cccc3[nH]c(=O)oc23)CC2(CCC2)O1
InChIInChI=1S/C16H18N2O4/c1-10-8-18(9-16(22-10)6-3-7-16)14(19)11-4-2-5-12-13(11)21-15(20)17-12/h2,4-5,10H,3,6-9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyPKXOXZYTPREFNQ-JTQLQIEISA-N
MW302.33 g/mol
LogP1.90
Rot. Bonds1

About 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one

7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one (PubChem CID 164632623) has the molecular formula C16H18N2O4 and a molecular weight of 302.33 g/mol. Its IUPAC name is 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one.

Molecular Properties

Compound Name7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one
PubChem CID164632623
Molecular FormulaC16H18N2O4
Molecular Weight302.33 g/mol
Exact Mass302.13
IUPAC Name7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one
SMILESC[C@H]1CN(C(=O)c2cccc3[nH]c(=O)oc23)CC2(CCC2)O1
InChIInChI=1S/C16H18N2O4/c1-10-8-18(9-16(22-10)6-3-7-16)14(19)11-4-2-5-12-13(11)21-15(20)17-12/h2,4-5,10H,3,6-9H2,1H3,(H,17,20)/t10-/m0/s1
InChIKeyPKXOXZYTPREFNQ-JTQLQIEISA-N
XLogP1.90
TPSA75.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-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

Frequently Asked Questions

What is the IUPAC name of 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one?
The IUPAC name of 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one (CID 164632623) is 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one.
What is the SMILES notation for 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one?
The canonical SMILES for 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one is C[C@H]1CN(C(=O)c2cccc3[nH]c(=O)oc23)CC2(CCC2)O1.
What is the InChIKey of 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one?
The InChIKey is PKXOXZYTPREFNQ-JTQLQIEISA-N. The full InChI is InChI=1S/C16H18N2O4/c1-10-8-18(9-16(22-10)6-3-7-16)14(19)11-4-2-5-12-13(11)21-15(20)17-12/h2,4-5,10H,3,6-9H2,1H3,(H,17,20)/t10-/m0/s1.
What are the key properties of 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one?
7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one has a molecular weight of 302.33 g/mol, XLogP of 1.90, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(6S)-6-methyl-5-oxa-8-azaspiro[3.5]nonane-8-carbonyl]-3H-1,3-benzoxazol-2-one is sourced from PubChem (CID 164632623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).