N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide

C27H24FN5O4 — CID 175682545

IUPACN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2cccc(N3CC4(COC4)C3)c2)o1
InChIInChI=1S/C27H24FN5O4/c1-15-5-6-16(23-31-26(37-32-23)19-9-20(19)28)8-21(15)30-24(34)22-10-29-25(36-22)17-3-2-4-18(7-17)33-11-27(12-33)13-35-14-27/h2-8,10,19-20H,9,11-14H2,1H3,(H,30,34)/t19-,20-/m0/s1
InChIKeyYLOYIGDJBKEYJT-PMACEKPBSA-N
MW501.52 g/mol
LogP4.61
Rot. Bonds6

About N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide

N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide (PubChem CID 175682545) has the molecular formula C27H24FN5O4 and a molecular weight of 501.52 g/mol. Its IUPAC name is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide
PubChem CID175682545
Molecular FormulaC27H24FN5O4
Molecular Weight501.52 g/mol
Exact Mass501.18
IUPAC NameN-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide
SMILESCc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2cccc(N3CC4(COC4)C3)c2)o1
InChIInChI=1S/C27H24FN5O4/c1-15-5-6-16(23-31-26(37-32-23)19-9-20(19)28)8-21(15)30-24(34)22-10-29-25(36-22)17-3-2-4-18(7-17)33-11-27(12-33)13-35-14-27/h2-8,10,19-20H,9,11-14H2,1H3,(H,30,34)/t19-,20-/m0/s1
InChIKeyYLOYIGDJBKEYJT-PMACEKPBSA-N
XLogP4.61
TPSA106.52 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500501.52
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide?
The IUPAC name of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide (CID 175682545) is N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide.
What is the SMILES notation for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide?
The canonical SMILES for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide is Cc1ccc(-c2noc([C@H]3C[C@@H]3F)n2)cc1NC(=O)c1cnc(-c2cccc(N3CC4(COC4)C3)c2)o1.
What is the InChIKey of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide?
The InChIKey is YLOYIGDJBKEYJT-PMACEKPBSA-N. The full InChI is InChI=1S/C27H24FN5O4/c1-15-5-6-16(23-31-26(37-32-23)19-9-20(19)28)8-21(15)30-24(34)22-10-29-25(36-22)17-3-2-4-18(7-17)33-11-27(12-33)13-35-14-27/h2-8,10,19-20H,9,11-14H2,1H3,(H,30,34)/t19-,20-/m0/s1.
What are the key properties of N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide?
N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide has a molecular weight of 501.52 g/mol, XLogP of 4.61, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[5-[(1R,2S)-2-fluorocyclopropyl]-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-2-[3-(2-oxa-6-azaspiro[3.3]heptan-6-yl)phenyl]-1,3-oxazole-5-carboxamide is sourced from PubChem (CID 175682545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).