N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide

C22H29N3O2 — CID 46187694

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1
InChIInChI=1S/C22H29N3O2/c1-4-17-6-5-7-18(12-17)19-13-22(14-19)8-10-25(11-9-22)21(26)23-20-15(2)16(3)24-27-20/h5-7,12,19H,4,8-11,13-14H2,1-3H3,(H,23,26)
InChIKeyKQYRMVXCZDNMRW-UHFFFAOYSA-N
MW367.49 g/mol
LogP5.05
Rot. Bonds3

About N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide

N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide (PubChem CID 46187694) has the molecular formula C22H29N3O2 and a molecular weight of 367.49 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide
PubChem CID46187694
Molecular FormulaC22H29N3O2
Molecular Weight367.49 g/mol
Exact Mass367.23
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide
SMILESCCc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1
InChIInChI=1S/C22H29N3O2/c1-4-17-6-5-7-18(12-17)19-13-22(14-19)8-10-25(11-9-22)21(26)23-20-15(2)16(3)24-27-20/h5-7,12,19H,4,8-11,13-14H2,1-3H3,(H,23,26)
InChIKeyKQYRMVXCZDNMRW-UHFFFAOYSA-N
XLogP5.05
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.49
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide (CID 46187694) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide is CCc1cccc(C2CC3(CCN(C(=O)Nc4onc(C)c4C)CC3)C2)c1.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide?
The InChIKey is KQYRMVXCZDNMRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O2/c1-4-17-6-5-7-18(12-17)19-13-22(14-19)8-10-25(11-9-22)21(26)23-20-15(2)16(3)24-27-20/h5-7,12,19H,4,8-11,13-14H2,1-3H3,(H,23,26).
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide has a molecular weight of 367.49 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-2-(3-ethylphenyl)-7-azaspiro[3.5]nonane-7-carboxamide is sourced from PubChem (CID 46187694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).