7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

C22H27N5O3 — CID 126897241

IUPAC7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCc1noc(C)c1CC(=O)N1CCN(c2ccc3c(=O)n(C(C)C)cnc3c2)CC1
InChIInChI=1S/C22H27N5O3/c1-14(2)27-13-23-20-11-17(5-6-18(20)22(27)29)25-7-9-26(10-8-25)21(28)12-19-15(3)24-30-16(19)4/h5-6,11,13-14H,7-10,12H2,1-4H3
InChIKeyBJFHGMAUCPINJM-UHFFFAOYSA-N
MW409.49 g/mol
LogP2.47
Rot. Bonds4

About 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one

7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (PubChem CID 126897241) has the molecular formula C22H27N5O3 and a molecular weight of 409.49 g/mol. Its IUPAC name is 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.

Molecular Properties

Compound Name7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
PubChem CID126897241
Molecular FormulaC22H27N5O3
Molecular Weight409.49 g/mol
Exact Mass409.21
IUPAC Name7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
SMILESCc1noc(C)c1CC(=O)N1CCN(c2ccc3c(=O)n(C(C)C)cnc3c2)CC1
InChIInChI=1S/C22H27N5O3/c1-14(2)27-13-23-20-11-17(5-6-18(20)22(27)29)25-7-9-26(10-8-25)21(28)12-19-15(3)24-30-16(19)4/h5-6,11,13-14H,7-10,12H2,1-4H3
InChIKeyBJFHGMAUCPINJM-UHFFFAOYSA-N
XLogP2.47
TPSA84.47 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.49
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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

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Launch Full Analysis

Related Compounds

2-(3,5-dimethyl-1,2-oxazol-4-yl)-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
CID 146086674
7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-methylquinazolin-4-one
CID 126896910
3-propan-2-yl-7-(4-pyridin-4-ylpiperazin-1-yl)quinazolin-4-one
CID 126897323
7-[4-(1,2,4-oxadiazol-3-ylmethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897363
7-[4-(2-morpholin-4-ylethyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897342
7-[4-(oxolane-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897247
7-[4-(6-oxo-1-propan-2-ylpyridazine-3-carbonyl)piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897294
7-[4-[(2-methyl-3-oxopyridazin-4-yl)methyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897419
7-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]piperazin-1-yl]-3-(2-hydroxyethyl)quinazolin-4-one
CID 126898652
7-[4-[1-(1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one
CID 126897457
3-[3-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-oxopropyl]quinazolin-4-one
CID 86877519
3-propan-2-yl-7-[4-(1H-pyrazole-4-carbonyl)piperazin-1-yl]quinazolin-4-one
CID 126897276

Frequently Asked Questions

What is the IUPAC name of 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The IUPAC name of 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one (CID 126897241) is 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one.
What is the SMILES notation for 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The canonical SMILES for 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is Cc1noc(C)c1CC(=O)N1CCN(c2ccc3c(=O)n(C(C)C)cnc3c2)CC1.
What is the InChIKey of 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
The InChIKey is BJFHGMAUCPINJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N5O3/c1-14(2)27-13-23-20-11-17(5-6-18(20)22(27)29)25-7-9-26(10-8-25)21(28)12-19-15(3)24-30-16(19)4/h5-6,11,13-14H,7-10,12H2,1-4H3.
What are the key properties of 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one?
7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one has a molecular weight of 409.49 g/mol, XLogP of 2.47, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)acetyl]piperazin-1-yl]-3-propan-2-ylquinazolin-4-one is sourced from PubChem (CID 126897241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).