1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one

C20H17ClN2O3 — CID 108774642

IUPAC1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(c3nc4ccccc4o3)CC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C20H17ClN2O3/c21-13-5-6-17-14(11-13)16(24)12-20(26-17)7-9-23(10-8-20)19-22-15-3-1-2-4-18(15)25-19/h1-6,11H,7-10,12H2
InChIKeyORAYHJMBDUWAFS-UHFFFAOYSA-N
MW368.82 g/mol
LogP4.49
Rot. Bonds1

About 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one

1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (PubChem CID 108774642) has the molecular formula C20H17ClN2O3 and a molecular weight of 368.82 g/mol. Its IUPAC name is 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.

Molecular Properties

Compound Name1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
PubChem CID108774642
Molecular FormulaC20H17ClN2O3
Molecular Weight368.82 g/mol
Exact Mass368.09
IUPAC Name1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
SMILESO=C1CC2(CCN(c3nc4ccccc4o3)CC2)Oc2ccc(Cl)cc21
InChIInChI=1S/C20H17ClN2O3/c21-13-5-6-17-14(11-13)16(24)12-20(26-17)7-9-23(10-8-20)19-22-15-3-1-2-4-18(15)25-19/h1-6,11H,7-10,12H2
InChIKeyORAYHJMBDUWAFS-UHFFFAOYSA-N
XLogP4.49
TPSA55.57 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.82
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-chloro-1'-(5-chloro-1,3-benzoxazol-2-yl)-7-methylspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774702
1'-(1,3-benzoxazol-2-yl)-7-methoxyspiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774866
1'-(1,3-benzoxazol-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108778686
1'-(2-bromobenzoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758307
6-chloro-7-methyl-1'-(3-pyrrolidin-1-ylquinoxalin-2-yl)spiro[3H-chromene-2,4'-piperidine]-4-one
CID 108774690
1-(6-chloro-4-oxospiro[3H-chromene-2,4'-piperidine]-1'-yl)-4-phenylbutane-1,4-dione
CID 108735144
1'-(2-bromopropanoyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108758290
8-(1,3-benzoxazol-2-yl)-1,3,8-triazaspiro[4.5]decane-2,4-dione
CID 154829410
1'-(3-chloroquinoxalin-2-yl)-6-methoxyspiro[3H-chromene-2,3'-pyrrolidine]-4-one
CID 108778722
1'-(adamantane-1-carbonyl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one
CID 108735105
4'-tert-butyl-6-chlorospiro[3H-chromene-2,1'-cyclohexane]-4-one
CID 114672988
5-chloro-2-pyrrolidin-1-yl-1,3-benzoxazole
CID 119084724

Frequently Asked Questions

What is the IUPAC name of 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The IUPAC name of 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one (CID 108774642) is 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one.
What is the SMILES notation for 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The canonical SMILES for 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is O=C1CC2(CCN(c3nc4ccccc4o3)CC2)Oc2ccc(Cl)cc21.
What is the InChIKey of 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
The InChIKey is ORAYHJMBDUWAFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17ClN2O3/c21-13-5-6-17-14(11-13)16(24)12-20(26-17)7-9-23(10-8-20)19-22-15-3-1-2-4-18(15)25-19/h1-6,11H,7-10,12H2.
What are the key properties of 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one?
1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one has a molecular weight of 368.82 g/mol, XLogP of 4.49, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-(1,3-benzoxazol-2-yl)-6-chlorospiro[3H-chromene-2,4'-piperidine]-4-one is sourced from PubChem (CID 108774642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).