5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

C24H27ClN4O4 — CID 137415855

IUPAC5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCc1noc(C)c1CCN(C)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C24H27ClN4O4/c1-13-16(14(2)33-28-13)7-10-29(3)22(30)18-12-15-11-17(25)20-19(21(15)32-18)24(27-23(31)26-20)8-5-4-6-9-24/h11-12H,4-10H2,1-3H3,(H2,26,27,31)
InChIKeyXAHXRGGLCWHGBG-UHFFFAOYSA-N
MW470.96 g/mol
LogP5.30
Rot. Bonds4

About 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide

5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (PubChem CID 137415855) has the molecular formula C24H27ClN4O4 and a molecular weight of 470.96 g/mol. Its IUPAC name is 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
PubChem CID137415855
Molecular FormulaC24H27ClN4O4
Molecular Weight470.96 g/mol
Exact Mass470.17
IUPAC Name5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide
SMILESCc1noc(C)c1CCN(C)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3
InChIInChI=1S/C24H27ClN4O4/c1-13-16(14(2)33-28-13)7-10-29(3)22(30)18-12-15-11-17(25)20-19(21(15)32-18)24(27-23(31)26-20)8-5-4-6-9-24/h11-12H,4-10H2,1-3H3,(H2,26,27,31)
InChIKeyXAHXRGGLCWHGBG-UHFFFAOYSA-N
XLogP5.30
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.96
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The IUPAC name of 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide (CID 137415855) is 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The canonical SMILES for 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is Cc1noc(C)c1CCN(C)C(=O)c1cc2cc(Cl)c3c(c2o1)C1(CCCCC1)NC(=O)N3.
What is the InChIKey of 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
The InChIKey is XAHXRGGLCWHGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN4O4/c1-13-16(14(2)33-28-13)7-10-29(3)22(30)18-12-15-11-17(25)20-19(21(15)32-18)24(27-23(31)26-20)8-5-4-6-9-24/h11-12H,4-10H2,1-3H3,(H2,26,27,31).
What are the key properties of 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide?
5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide has a molecular weight of 470.96 g/mol, XLogP of 5.30, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-N-methyl-7-oxospiro[6,8-dihydrofuro[2,3-f]quinazoline-9,1'-cyclohexane]-2-carboxamide is sourced from PubChem (CID 137415855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).