1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione

C24H22ClN3O4 — CID 26818133

IUPAC1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione
SMILESCc1oc(-c2cccc(Cl)c2)nc1Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21
InChIInChI=1S/C24H22ClN3O4/c1-15-20(26-22(32-15)16-6-4-7-17(25)12-16)14-27-21-10-3-2-9-19(21)23(29)28(24(27)30)13-18-8-5-11-31-18/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3/t18-/m1/s1
InChIKeyMYYJSJQFHVLZSK-GOSISDBHSA-N
MW451.91 g/mol
LogP4.01
Rot. Bonds5

About 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione

1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione (PubChem CID 26818133) has the molecular formula C24H22ClN3O4 and a molecular weight of 451.91 g/mol. Its IUPAC name is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione.

Molecular Properties

Compound Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione
PubChem CID26818133
Molecular FormulaC24H22ClN3O4
Molecular Weight451.91 g/mol
Exact Mass451.13
IUPAC Name1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione
SMILESCc1oc(-c2cccc(Cl)c2)nc1Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21
InChIInChI=1S/C24H22ClN3O4/c1-15-20(26-22(32-15)16-6-4-7-17(25)12-16)14-27-21-10-3-2-9-19(21)23(29)28(24(27)30)13-18-8-5-11-31-18/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3/t18-/m1/s1
InChIKeyMYYJSJQFHVLZSK-GOSISDBHSA-N
XLogP4.01
TPSA79.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.91
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione?
The IUPAC name of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione (CID 26818133) is 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione.
What is the SMILES notation for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione?
The canonical SMILES for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione is Cc1oc(-c2cccc(Cl)c2)nc1Cn1c(=O)n(C[C@H]2CCCO2)c(=O)c2ccccc21.
What is the InChIKey of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione?
The InChIKey is MYYJSJQFHVLZSK-GOSISDBHSA-N. The full InChI is InChI=1S/C24H22ClN3O4/c1-15-20(26-22(32-15)16-6-4-7-17(25)12-16)14-27-21-10-3-2-9-19(21)23(29)28(24(27)30)13-18-8-5-11-31-18/h2-4,6-7,9-10,12,18H,5,8,11,13-14H2,1H3/t18-/m1/s1.
What are the key properties of 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione?
1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione has a molecular weight of 451.91 g/mol, XLogP of 4.01, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(3-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]methyl]-3-[[(2R)-oxolan-2-yl]methyl]quinazoline-2,4-dione is sourced from PubChem (CID 26818133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).