(1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine

C24H27F3N2O4 — CID 155284531

IUPAC(1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine
SMILESFC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1CNC1C[C@H]2CC[C@@H](C1)C21OCCO1
InChIInChI=1S/C24H27F3N2O4/c25-24(26,27)32-20-4-2-1-3-18(20)21-19(22(33-29-21)14-5-6-14)13-28-17-11-15-7-8-16(12-17)23(15)30-9-10-31-23/h1-4,14-17,28H,5-13H2/t15-,16+,17?
InChIKeyYCIYVJUWGVZSSY-SJPCQFCGSA-N
MW464.48 g/mol
LogP5.14
Rot. Bonds6

About (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine

(1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine (PubChem CID 155284531) has the molecular formula C24H27F3N2O4 and a molecular weight of 464.48 g/mol. Its IUPAC name is (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine.

Molecular Properties

Compound Name(1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine
PubChem CID155284531
Molecular FormulaC24H27F3N2O4
Molecular Weight464.48 g/mol
Exact Mass464.19
IUPAC Name(1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine
SMILESFC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1CNC1C[C@H]2CC[C@@H](C1)C21OCCO1
InChIInChI=1S/C24H27F3N2O4/c25-24(26,27)32-20-4-2-1-3-18(20)21-19(22(33-29-21)14-5-6-14)13-28-17-11-15-7-8-16(12-17)23(15)30-9-10-31-23/h1-4,14-17,28H,5-13H2/t15-,16+,17?
InChIKeyYCIYVJUWGVZSSY-SJPCQFCGSA-N
XLogP5.14
TPSA65.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.48
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine with MolForge

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Related Compounds

(1R,5S)-8-azido-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]bicyclo[3.2.1]octan-3-amine
CID 155284469
3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]bicyclo[3.2.1]octan-8-amine
CID 162619726
N-cyclopropylsulfonyl-2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]quinoline-6-carboxamide
CID 134416753
3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]bicyclo[3.2.1]octan-8-one
CID 155297940
4-(3-azabicyclo[3.1.1]heptan-6-yloxymethyl)-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 155401450
cis-(1R,3S)-3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]cyclopentan-1-amine
CID 139407011
4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxymethyl]-2-oxabicyclo[2.2.2]octane-1-carboxylic acid
CID 138584536
[4-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methoxy]-1-bicyclo[2.2.2]octanyl]methanol
CID 138585053
5-cyclopropyl-4-[(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 138485793
4-[[(3aS,4R)-1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-4-yl]oxymethyl]-5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 137401835
2-[3-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methylamino]-6-azabicyclo[3.1.1]heptan-6-yl]-N-(1-methylcyclopropyl)sulfonyl-1,3-benzothiazole-6-carboxamide
CID 134416957
5-cyclopropyl-4-[[(3S,5S,7S)-5-tricyclo[5.2.1.03,9]decanyl]oxymethyl]-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazole
CID 167152008

Frequently Asked Questions

What is the IUPAC name of (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine?
The IUPAC name of (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine (CID 155284531) is (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine.
What is the SMILES notation for (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine?
The canonical SMILES for (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine is FC(F)(F)Oc1ccccc1-c1noc(C2CC2)c1CNC1C[C@H]2CC[C@@H](C1)C21OCCO1.
What is the InChIKey of (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine?
The InChIKey is YCIYVJUWGVZSSY-SJPCQFCGSA-N. The full InChI is InChI=1S/C24H27F3N2O4/c25-24(26,27)32-20-4-2-1-3-18(20)21-19(22(33-29-21)14-5-6-14)13-28-17-11-15-7-8-16(12-17)23(15)30-9-10-31-23/h1-4,14-17,28H,5-13H2/t15-,16+,17?.
What are the key properties of (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine?
(1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine has a molecular weight of 464.48 g/mol, XLogP of 5.14, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1'S,5'R)-N-[[5-cyclopropyl-3-[2-(trifluoromethoxy)phenyl]-1,2-oxazol-4-yl]methyl]spiro[1,3-dioxolane-2,8'-bicyclo[3.2.1]octane]-3'-amine is sourced from PubChem (CID 155284531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).