(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone

C18H19N5O2 — CID 70785001

IUPAC(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)c(C)o1
InChIInChI=1S/C18H19N5O2/c1-12-16(21-13(2)25-12)18(24)23-9-7-22(8-10-23)17-14-5-3-4-6-15(14)19-11-20-17/h3-6,11H,7-10H2,1-2H3
InChIKeyDAJJTHADUXEBIM-UHFFFAOYSA-N
MW337.38 g/mol
LogP2.20
Rot. Bonds2

About (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone

(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone (PubChem CID 70785001) has the molecular formula C18H19N5O2 and a molecular weight of 337.38 g/mol. Its IUPAC name is (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
PubChem CID70785001
Molecular FormulaC18H19N5O2
Molecular Weight337.38 g/mol
Exact Mass337.15
IUPAC Name(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
SMILESCc1nc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)c(C)o1
InChIInChI=1S/C18H19N5O2/c1-12-16(21-13(2)25-12)18(24)23-9-7-22(8-10-23)17-14-5-3-4-6-15(14)19-11-20-17/h3-6,11H,7-10H2,1-2H3
InChIKeyDAJJTHADUXEBIM-UHFFFAOYSA-N
XLogP2.20
TPSA75.36 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.38
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone with MolForge

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Related Compounds

1-benzofuran-2-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32884666
(2-methoxyphenyl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 32880632
N-[(5-methyl-1,2,4-oxadiazol-3-yl)methyl]-4-quinazolin-4-ylpiperazine-1-carboxamide
CID 131922852
2,2-dimethyl-1-(4-quinazolin-4-yl-1,4-diazepan-1-yl)propan-1-one
CID 171335913
2H-benzotriazol-5-yl-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 56903524
tert-butyl 4-quinazolin-4-yl-1,4-diazepane-1-carboxylate
CID 69365805
[2-amino-6-(2-methylpropyl)pyrimidin-4-yl]-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 131919946
3-methylsulfonyl-1-(4-quinazolin-4-ylpiperazin-1-yl)propan-1-one
CID 131930952
4,5-dimethyl-2-[(4-quinazolin-4-ylpiperazin-1-yl)methyl]-1,3-oxazole
CID 86891071
1-methyl-4-quinazolin-4-ylpiperazine-2-carboxylic acid
CID 178170042
(2-amino-1,3-benzothiazol-5-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone
CID 29105738
4-[4-(5-methylpyrimidin-2-yl)piperazin-1-yl]quinazoline
CID 123289394

Frequently Asked Questions

What is the IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The IUPAC name of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone (CID 70785001) is (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone.
What is the SMILES notation for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The canonical SMILES for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone is Cc1nc(C(=O)N2CCN(c3ncnc4ccccc34)CC2)c(C)o1.
What is the InChIKey of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
The InChIKey is DAJJTHADUXEBIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O2/c1-12-16(21-13(2)25-12)18(24)23-9-7-22(8-10-23)17-14-5-3-4-6-15(14)19-11-20-17/h3-6,11H,7-10H2,1-2H3.
What are the key properties of (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone?
(2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone has a molecular weight of 337.38 g/mol, XLogP of 2.20, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dimethyl-1,3-oxazol-4-yl)-(4-quinazolin-4-ylpiperazin-1-yl)methanone is sourced from PubChem (CID 70785001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).