(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

C19H22N4O3 — CID 146069330

IUPAC(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC3(C2)OCc2nc(C4CCCCC4)ncc23)no1
InChIInChI=1S/C19H22N4O3/c1-12-7-15(22-26-12)18(24)23-10-19(11-23)14-8-20-17(21-16(14)9-25-19)13-5-3-2-4-6-13/h7-8,13H,2-6,9-11H2,1H3
InChIKeyUPOWEVVNMLXIBT-UHFFFAOYSA-N
MW354.41 g/mol
LogP2.70
Rot. Bonds2

About (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone

(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (PubChem CID 146069330) has the molecular formula C19H22N4O3 and a molecular weight of 354.41 g/mol. Its IUPAC name is (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.

Molecular Properties

Compound Name(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
PubChem CID146069330
Molecular FormulaC19H22N4O3
Molecular Weight354.41 g/mol
Exact Mass354.17
IUPAC Name(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
SMILESCc1cc(C(=O)N2CC3(C2)OCc2nc(C4CCCCC4)ncc23)no1
InChIInChI=1S/C19H22N4O3/c1-12-7-15(22-26-12)18(24)23-10-19(11-23)14-8-20-17(21-16(14)9-25-19)13-5-3-2-4-6-13/h7-8,13H,2-6,9-11H2,1H3
InChIKeyUPOWEVVNMLXIBT-UHFFFAOYSA-N
XLogP2.70
TPSA81.35 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.41
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-[4-(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-carbonyl)piperidin-1-yl]ethanone
CID 146069366
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-3-pyridinyl)methanone
CID 146069308
1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-ethylbutan-1-one
CID 146069283
(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(2-ethylpyrazol-3-yl)methanone
CID 146069294
1'-benzyl-2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069323
(2-methylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(1,3-thiazol-4-yl)methanone
CID 146069133
2-cyclohexyl-1'-[(1-methylpyrrol-2-yl)methyl]spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069310
1-(2-cyclopropylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-2-(2-fluorophenyl)ethanone
CID 146069254
2-cyclohexyl-1'-(pyridin-3-ylmethyl)spiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]
CID 146069316
(4-bromopiperidin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 80662471
(4-cyclopentylpiperazin-1-yl)-(5-methyl-1,2-oxazol-3-yl)methanone
CID 121184683
[(4aS,8aR)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]-(5-methyl-1,2-oxazol-3-yl)methanone
CID 129366335

Frequently Asked Questions

What is the IUPAC name of (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The IUPAC name of (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone (CID 146069330) is (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone.
What is the SMILES notation for (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The canonical SMILES for (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is Cc1cc(C(=O)N2CC3(C2)OCc2nc(C4CCCCC4)ncc23)no1.
What is the InChIKey of (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
The InChIKey is UPOWEVVNMLXIBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O3/c1-12-7-15(22-26-12)18(24)23-10-19(11-23)14-8-20-17(21-16(14)9-25-19)13-5-3-2-4-6-13/h7-8,13H,2-6,9-11H2,1H3.
What are the key properties of (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone?
(2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone has a molecular weight of 354.41 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclohexylspiro[7H-furo[3,4-d]pyrimidine-5,3'-azetidine]-1'-yl)-(5-methyl-1,2-oxazol-3-yl)methanone is sourced from PubChem (CID 146069330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).