(9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide

C17H22F3N3O2 — CID 129347639

IUPAC(9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
SMILESO=C(NCc1cnc(C2CC2)o1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)13-4-7-23(10-16(13)5-1-6-16)15(24)22-9-12-8-21-14(25-12)11-2-3-11/h8,11,13H,1-7,9-10H2,(H,22,24)/t13-/m0/s1
InChIKeyMJNQGODOJFTHIO-ZDUSSCGKSA-N
MW357.38 g/mol
LogP3.82
Rot. Bonds3

About (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide

(9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide (PubChem CID 129347639) has the molecular formula C17H22F3N3O2 and a molecular weight of 357.38 g/mol. Its IUPAC name is (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide.

Molecular Properties

Compound Name(9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
PubChem CID129347639
Molecular FormulaC17H22F3N3O2
Molecular Weight357.38 g/mol
Exact Mass357.17
IUPAC Name(9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
SMILESO=C(NCc1cnc(C2CC2)o1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1
InChIInChI=1S/C17H22F3N3O2/c18-17(19,20)13-4-7-23(10-16(13)5-1-6-16)15(24)22-9-12-8-21-14(25-12)11-2-3-11/h8,11,13H,1-7,9-10H2,(H,22,24)/t13-/m0/s1
InChIKeyMJNQGODOJFTHIO-ZDUSSCGKSA-N
XLogP3.82
TPSA58.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.38
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,6-dimethyl-4-pyridinyl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128854961
N-[(1-ethylpyrazol-4-yl)methyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128682445
4-[[(2-cyclopropyl-1,3-oxazol-5-yl)methylamino]methyl]benzoic acid
CID 122035175
pyridin-4-yl-[(9S)-9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 124872122
(5R)-N-[2-(1,3-thiazol-4-yl)ethyl]-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 129348047
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide
CID 126807723
(4-chloro-1-ethylpyrazol-5-yl)-[9-(trifluoromethyl)-6-azaspiro[3.5]nonan-6-yl]methanone
CID 138036709
N-(2-methyl-4-pyridinyl)-5-(trifluoromethyl)-9-oxa-2-azaspiro[5.5]undecane-2-carboxamide
CID 128701518
(5S)-N-methyl-5-(trifluoromethyl)-2,9-diazaspiro[5.5]undecane-2-carboxamide
CID 97473932
3-bromo-5-[(2-cyclopropyl-1,3-oxazol-5-yl)methylamino]benzoic acid
CID 166253803
2-[2-(1-methylpiperidin-4-yl)-1,3-oxazol-5-yl]acetic acid
CID 115085180
(4S)-N-(1,3-benzodioxol-4-ylmethyl)-3,3-dimethyl-4-(trifluoromethyl)piperidine-1-carboxamide
CID 124844398

Frequently Asked Questions

What is the IUPAC name of (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
The IUPAC name of (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide (CID 129347639) is (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide.
What is the SMILES notation for (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
The canonical SMILES for (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide is O=C(NCc1cnc(C2CC2)o1)N1CC[C@H](C(F)(F)F)C2(CCC2)C1.
What is the InChIKey of (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
The InChIKey is MJNQGODOJFTHIO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H22F3N3O2/c18-17(19,20)13-4-7-23(10-16(13)5-1-6-16)15(24)22-9-12-8-21-14(25-12)11-2-3-11/h8,11,13H,1-7,9-10H2,(H,22,24)/t13-/m0/s1.
What are the key properties of (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide?
(9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide has a molecular weight of 357.38 g/mol, XLogP of 3.82, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (9S)-N-[(2-cyclopropyl-1,3-oxazol-5-yl)methyl]-9-(trifluoromethyl)-6-azaspiro[3.5]nonane-6-carboxamide is sourced from PubChem (CID 129347639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).