3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one

C22H29N5O2 — CID 126897487

IUPAC3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCC(C)c1cnc(CN2CCN(c3ccc4c(=O)n(C(C)C)cnc4c3)CC2)o1
InChIInChI=1S/C22H29N5O2/c1-15(2)20-12-23-21(29-20)13-25-7-9-26(10-8-25)17-5-6-18-19(11-17)24-14-27(16(3)4)22(18)28/h5-6,11-12,14-16H,7-10,13H2,1-4H3
InChIKeyIBIGKRYQFAWWQS-UHFFFAOYSA-N
MW395.51 g/mol
LogP3.41
Rot. Bonds5

About 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one

3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one (PubChem CID 126897487) has the molecular formula C22H29N5O2 and a molecular weight of 395.51 g/mol. Its IUPAC name is 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one.

Molecular Properties

Compound Name3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
PubChem CID126897487
Molecular FormulaC22H29N5O2
Molecular Weight395.51 g/mol
Exact Mass395.23
IUPAC Name3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
SMILESCC(C)c1cnc(CN2CCN(c3ccc4c(=O)n(C(C)C)cnc4c3)CC2)o1
InChIInChI=1S/C22H29N5O2/c1-15(2)20-12-23-21(29-20)13-25-7-9-26(10-8-25)17-5-6-18-19(11-17)24-14-27(16(3)4)22(18)28/h5-6,11-12,14-16H,7-10,13H2,1-4H3
InChIKeyIBIGKRYQFAWWQS-UHFFFAOYSA-N
XLogP3.41
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.51
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one with MolForge

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Related Compounds

3-(2,2-difluoroethyl)-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one
CID 126898139
7-[4-[(2-methylpyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897440
7-[4-[2-(2-methyl-1,3-oxazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897479
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897363
7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897419
7-[4-[(4-methyl-5-oxopyrazin-2-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897425
7-[4-[(1-methyl-2-oxopyrimidin-5-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897418
3-propan-2-yl-7-[4-(4,5,6,7-tetrahydro-1,2-benzoxazol-3-ylmethyl)piperazin-1-yl]quinazolin-4-one
CID 126897505
7-[4-[2-(1,4-oxazepan-4-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897524
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-[[5-(dimethylamino)-1,2,4-thiadiazol-3-yl]methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897400

Frequently Asked Questions

What is the IUPAC name of 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The IUPAC name of 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one (CID 126897487) is 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one.
What is the SMILES notation for 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The canonical SMILES for 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one is CC(C)c1cnc(CN2CCN(c3ccc4c(=O)n(C(C)C)cnc4c3)CC2)o1.
What is the InChIKey of 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?
The InChIKey is IBIGKRYQFAWWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N5O2/c1-15(2)20-12-23-21(29-20)13-25-7-9-26(10-8-25)17-5-6-18-19(11-17)24-14-27(16(3)4)22(18)28/h5-6,11-12,14-16H,7-10,13H2,1-4H3.
What are the key properties of 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one?
3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one has a molecular weight of 395.51 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propan-2-yl-7-[4-[(5-propan-2-yl-1,3-oxazol-2-yl)methyl]piperazin-1-yl]quinazolin-4-one is sourced from PubChem (CID 126897487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).