(5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone

C18H19ClFN3O2 — CID 146068114

IUPAC(5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESCc1cnc(C2CN(C)CC23CN(C(=O)c2cc(Cl)ccc2F)C3)o1
InChIInChI=1S/C18H19ClFN3O2/c1-11-6-21-16(25-11)14-7-22(2)8-18(14)9-23(10-18)17(24)13-5-12(19)3-4-15(13)20/h3-6,14H,7-10H2,1-2H3
InChIKeyJJYVURDKKHUIOD-UHFFFAOYSA-N
MW363.82 g/mol
LogP2.95
Rot. Bonds2

About (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone

(5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (PubChem CID 146068114) has the molecular formula C18H19ClFN3O2 and a molecular weight of 363.82 g/mol. Its IUPAC name is (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone.

Molecular Properties

Compound Name(5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
PubChem CID146068114
Molecular FormulaC18H19ClFN3O2
Molecular Weight363.82 g/mol
Exact Mass363.11
IUPAC Name(5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
SMILESCc1cnc(C2CN(C)CC23CN(C(=O)c2cc(Cl)ccc2F)C3)o1
InChIInChI=1S/C18H19ClFN3O2/c1-11-6-21-16(25-11)14-7-22(2)8-18(14)9-23(10-18)17(24)13-5-12(19)3-4-15(13)20/h3-6,14H,7-10H2,1-2H3
InChIKeyJJYVURDKKHUIOD-UHFFFAOYSA-N
XLogP2.95
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.82
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone with MolForge

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Launch Full Analysis

Related Compounds

(4-methoxy-2-methylphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 146068115
(2,3-dimethoxyphenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone
CID 146068110
N-(3-fluoro-4-methoxyphenyl)-7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octane-2-carboxamide
CID 146070518
(5-chloro-2-fluorophenyl)-[6-(chloromethyl)-2,2-dimethylmorpholin-4-yl]methanone
CID 114781270
(5-chloro-2-fluorophenyl)-(3-methylpyrrolidin-1-yl)methanone
CID 61224266
(5-chloro-2-fluorophenyl)-(3-methylpiperidin-1-yl)methanone
CID 60674863
(5-chloro-2-fluorophenyl)-[(3S,4R)-3,4-dihydroxy-4-methylpiperidin-1-yl]methanone
CID 72912955
(5-chloro-2-fluorophenyl)-[3-(chloromethyl)pyrrolidin-1-yl]methanone
CID 63396090
(5-chloro-2-fluorophenyl)-[3-(dimethylamino)pyrrolidin-1-yl]methanone
CID 63165270
azepan-1-yl-(5-chloro-2-fluorophenyl)methanone
CID 60675642
5-chloro-2-fluoro-N-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]benzamide
CID 103949119
methyl (3aS,6aS)-5-(5-chloro-2-fluorobenzoyl)-3,4,6,6a-tetrahydro-1H-furo[3,4-c]pyrrole-3a-carboxylate
CID 163309462

Frequently Asked Questions

What is the IUPAC name of (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The IUPAC name of (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone (CID 146068114) is (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone.
What is the SMILES notation for (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The canonical SMILES for (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is Cc1cnc(C2CN(C)CC23CN(C(=O)c2cc(Cl)ccc2F)C3)o1.
What is the InChIKey of (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
The InChIKey is JJYVURDKKHUIOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClFN3O2/c1-11-6-21-16(25-11)14-7-22(2)8-18(14)9-23(10-18)17(24)13-5-12(19)3-4-15(13)20/h3-6,14H,7-10H2,1-2H3.
What are the key properties of (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone?
(5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone has a molecular weight of 363.82 g/mol, XLogP of 2.95, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5-chloro-2-fluorophenyl)-[7-methyl-5-(5-methyl-1,3-oxazol-2-yl)-2,7-diazaspiro[3.4]octan-2-yl]methanone is sourced from PubChem (CID 146068114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).