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

C20H18N4O3 — CID 51122954

IUPACN-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2cc(NC(=O)Cn3c(C)nc4ccccc4c3=O)ccc2o1
InChIInChI=1S/C20H18N4O3/c1-3-19-23-16-10-13(8-9-17(16)27-19)22-18(25)11-24-12(2)21-15-7-5-4-6-14(15)20(24)26/h4-10H,3,11H2,1-2H3,(H,22,25)
InChIKeyNOTYVPZMSYJBBY-UHFFFAOYSA-N
MW362.39 g/mol
LogP3.05
Rot. Bonds4

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

N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (PubChem CID 51122954) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
PubChem CID51122954
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC NameN-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
SMILESCCc1nc2cc(NC(=O)Cn3c(C)nc4ccccc4c3=O)ccc2o1
InChIInChI=1S/C20H18N4O3/c1-3-19-23-16-10-13(8-9-17(16)27-19)22-18(25)11-24-12(2)21-15-7-5-4-6-14(15)20(24)26/h4-10H,3,11H2,1-2H3,(H,22,25)
InChIKeyNOTYVPZMSYJBBY-UHFFFAOYSA-N
XLogP3.05
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 53.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-ethyl-1,3-benzoxazol-5-yl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 51122950
2-(3,7-dimethyl-2,6-dioxopurin-1-yl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 55958739
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26682960
N-[3-(difluoromethoxy)-4-methoxyphenyl]-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55575508
6-[(2-ethyl-1,3-benzoxazol-5-yl)amino]-6-oxohexanoic acid
CID 60933247
2-(2-ethyl-4-oxoquinazolin-3-yl)-N-(3-fluoro-4-methylphenyl)acetamide
CID 45030818
N-(2-methoxyphenyl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 860126
1-[[2-(2-methyl-4-oxoquinazolin-3-yl)acetyl]amino]-3-(4-methylphenyl)thiourea
CID 3038441
N-(4-acetylphenyl)-2-(2-ethyl-4-oxoquinazolin-3-yl)acetamide
CID 859989
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(3-methyl-2-oxobenzimidazol-1-yl)acetamide
CID 17472904
N-(2-cyclopentylpyrazol-3-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide
CID 55571044
2-(3,4-dichlorophenyl)-N-(2-ethyl-1,3-benzoxazol-5-yl)acetamide
CID 52717820

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide (CID 51122954) is N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is CCc1nc2cc(NC(=O)Cn3c(C)nc4ccccc4c3=O)ccc2o1.
What is the InChIKey of N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
The InChIKey is NOTYVPZMSYJBBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-3-19-23-16-10-13(8-9-17(16)27-19)22-18(25)11-24-12(2)21-15-7-5-4-6-14(15)20(24)26/h4-10H,3,11H2,1-2H3,(H,22,25).
What are the key properties of N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide?
N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide has a molecular weight of 362.39 g/mol, XLogP of 3.05, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-1,3-benzoxazol-5-yl)-2-(2-methyl-4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 51122954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).