N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

C18H14N4O3 — CID 26682960

IUPACN-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cn3cnc4ccccc4c3=O)ccc2o1
InChIInChI=1S/C18H14N4O3/c1-11-20-15-8-12(6-7-16(15)25-11)21-17(23)9-22-10-19-14-5-3-2-4-13(14)18(22)24/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeySZGHKJPUECZUJJ-UHFFFAOYSA-N
MW334.34 g/mol
LogP2.48
Rot. Bonds3

About N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide

N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 26682960) has the molecular formula C18H14N4O3 and a molecular weight of 334.34 g/mol. Its IUPAC name is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID26682960
Molecular FormulaC18H14N4O3
Molecular Weight334.34 g/mol
Exact Mass334.11
IUPAC NameN-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
SMILESCc1nc2cc(NC(=O)Cn3cnc4ccccc4c3=O)ccc2o1
InChIInChI=1S/C18H14N4O3/c1-11-20-15-8-12(6-7-16(15)25-11)21-17(23)9-22-10-19-14-5-3-2-4-13(14)18(22)24/h2-8,10H,9H2,1H3,(H,21,23)
InChIKeySZGHKJPUECZUJJ-UHFFFAOYSA-N
XLogP2.48
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.34
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 41489456
N-(4,6-dimethylpyrimidin-2-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 155294773
N-(5-methyl-1,2-oxazol-3-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 3533504
N-(1,3-benzothiazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 131938230
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 39310773
2-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]propanamide
CID 42119047
3-methyl-N-[4-[[2-(4-oxoquinazolin-3-yl)acetyl]amino]phenyl]butanamide
CID 33026865
N-[4-(3,4-dimethylphenyl)sulfanylphenyl]-2-(4-oxoquinazolin-3-yl)acetamide
CID 4785568

Frequently Asked Questions

What is the IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide (CID 26682960) is N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is Cc1nc2cc(NC(=O)Cn3cnc4ccccc4c3=O)ccc2o1.
What is the InChIKey of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is SZGHKJPUECZUJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14N4O3/c1-11-20-15-8-12(6-7-16(15)25-11)21-17(23)9-22-10-19-14-5-3-2-4-13(14)18(22)24/h2-8,10H,9H2,1H3,(H,21,23).
What are the key properties of N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide?
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 334.34 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 26682960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).