N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide

C17H19N5O2 — CID 3233433

IUPACN-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2c(C)noc2C)nc2ccccc12
InChIInChI=1S/C17H19N5O2/c1-10-15(11(2)24-22-10)17-20-14-7-5-4-6-13(14)16(21-17)19-9-8-18-12(3)23/h4-7H,8-9H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyHLYULGIODFRLCG-UHFFFAOYSA-N
MW325.37 g/mol
LogP2.45
Rot. Bonds5

About N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide

N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide (PubChem CID 3233433) has the molecular formula C17H19N5O2 and a molecular weight of 325.37 g/mol. Its IUPAC name is N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide
PubChem CID3233433
Molecular FormulaC17H19N5O2
Molecular Weight325.37 g/mol
Exact Mass325.15
IUPAC NameN-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide
SMILESCC(=O)NCCNc1nc(-c2c(C)noc2C)nc2ccccc12
InChIInChI=1S/C17H19N5O2/c1-10-15(11(2)24-22-10)17-20-14-7-5-4-6-13(14)16(21-17)19-9-8-18-12(3)23/h4-7H,8-9H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyHLYULGIODFRLCG-UHFFFAOYSA-N
XLogP2.45
TPSA92.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.37
LogP ≤ 52.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide?
The IUPAC name of N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide (CID 3233433) is N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide.
What is the SMILES notation for N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide?
The canonical SMILES for N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide is CC(=O)NCCNc1nc(-c2c(C)noc2C)nc2ccccc12.
What is the InChIKey of N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide?
The InChIKey is HLYULGIODFRLCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2/c1-10-15(11(2)24-22-10)17-20-14-7-5-4-6-13(14)16(21-17)19-9-8-18-12(3)23/h4-7H,8-9H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide?
N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide has a molecular weight of 325.37 g/mol, XLogP of 2.45, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(3,5-dimethyl-1,2-oxazol-4-yl)quinazolin-4-yl]amino]ethyl]acetamide is sourced from PubChem (CID 3233433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).