N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide

C19H22N2O3 — CID 126454775

IUPACN-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide
SMILESCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3cnco3)cc2)C12CCC2
InChIInChI=1S/C19H22N2O3/c1-21(16-10-17(23-2)19(16)8-3-9-19)18(22)14-6-4-13(5-7-14)15-11-20-12-24-15/h4-7,11-12,16-17H,3,8-10H2,1-2H3/t16-,17-/m0/s1
InChIKeyOWAGSBXDQPOYBM-IRXDYDNUSA-N
MW326.40 g/mol
LogP3.37
Rot. Bonds4

About N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide

N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide (PubChem CID 126454775) has the molecular formula C19H22N2O3 and a molecular weight of 326.40 g/mol. Its IUPAC name is N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide.

Molecular Properties

Compound NameN-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide
PubChem CID126454775
Molecular FormulaC19H22N2O3
Molecular Weight326.40 g/mol
Exact Mass326.16
IUPAC NameN-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide
SMILESCO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3cnco3)cc2)C12CCC2
InChIInChI=1S/C19H22N2O3/c1-21(16-10-17(23-2)19(16)8-3-9-19)18(22)14-6-4-13(5-7-14)15-11-20-12-24-15/h4-7,11-12,16-17H,3,8-10H2,1-2H3/t16-,17-/m0/s1
InChIKeyOWAGSBXDQPOYBM-IRXDYDNUSA-N
XLogP3.37
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 53.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide?
The IUPAC name of N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide (CID 126454775) is N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide.
What is the SMILES notation for N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide?
The canonical SMILES for N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide is CO[C@H]1C[C@H](N(C)C(=O)c2ccc(-c3cnco3)cc2)C12CCC2.
What is the InChIKey of N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide?
The InChIKey is OWAGSBXDQPOYBM-IRXDYDNUSA-N. The full InChI is InChI=1S/C19H22N2O3/c1-21(16-10-17(23-2)19(16)8-3-9-19)18(22)14-6-4-13(5-7-14)15-11-20-12-24-15/h4-7,11-12,16-17H,3,8-10H2,1-2H3/t16-,17-/m0/s1.
What are the key properties of N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide?
N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide has a molecular weight of 326.40 g/mol, XLogP of 3.37, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,3S)-3-methoxyspiro[3.3]heptan-1-yl]-N-methyl-4-(1,3-oxazol-5-yl)benzamide is sourced from PubChem (CID 126454775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).