6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one

C20H21N5O3 — CID 137314667

IUPAC6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)[nH]c(=O)c2c1
InChIInChI=1S/C20H21N5O3/c1-11-17(12(2)28-24-11)13-5-6-16-15(7-13)19(26)23-18(22-16)14-8-21-25(9-14)10-20(3,4)27/h5-9,27H,10H2,1-4H3,(H,22,23,26)
InChIKeyORRPSSUTSPQDGF-UHFFFAOYSA-N
MW379.42 g/mol
LogP2.83
Rot. Bonds4

About 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one

6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one (PubChem CID 137314667) has the molecular formula C20H21N5O3 and a molecular weight of 379.42 g/mol. Its IUPAC name is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one.

Molecular Properties

Compound Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one
PubChem CID137314667
Molecular FormulaC20H21N5O3
Molecular Weight379.42 g/mol
Exact Mass379.16
IUPAC Name6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one
SMILESCc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)[nH]c(=O)c2c1
InChIInChI=1S/C20H21N5O3/c1-11-17(12(2)28-24-11)13-5-6-16-15(7-13)19(26)23-18(22-16)14-8-21-25(9-14)10-20(3,4)27/h5-9,27H,10H2,1-4H3,(H,22,23,26)
InChIKeyORRPSSUTSPQDGF-UHFFFAOYSA-N
XLogP2.83
TPSA109.83 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.42
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one?
The IUPAC name of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one (CID 137314667) is 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one.
What is the SMILES notation for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one?
The canonical SMILES for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one is Cc1noc(C)c1-c1ccc2nc(-c3cnn(CC(C)(C)O)c3)[nH]c(=O)c2c1.
What is the InChIKey of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one?
The InChIKey is ORRPSSUTSPQDGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O3/c1-11-17(12(2)28-24-11)13-5-6-16-15(7-13)19(26)23-18(22-16)14-8-21-25(9-14)10-20(3,4)27/h5-9,27H,10H2,1-4H3,(H,22,23,26).
What are the key properties of 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one?
6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one has a molecular weight of 379.42 g/mol, XLogP of 2.83, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(3,5-dimethyl-1,2-oxazol-4-yl)-2-[1-(2-hydroxy-2-methylpropyl)pyrazol-4-yl]-3H-quinazolin-4-one is sourced from PubChem (CID 137314667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).