N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

C23H16N4O3 — CID 41489456

IUPACN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C23H16N4O3/c28-21(13-27-14-24-18-6-2-1-5-17(18)23(27)29)25-16-11-9-15(10-12-16)22-26-19-7-3-4-8-20(19)30-22/h1-12,14H,13H2,(H,25,28)
InChIKeyRNFKGLPJZHLCOP-UHFFFAOYSA-N
MW396.41 g/mol
LogP3.84
Rot. Bonds4

About N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide

N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (PubChem CID 41489456) has the molecular formula C23H16N4O3 and a molecular weight of 396.41 g/mol. Its IUPAC name is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.

Molecular Properties

Compound NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
PubChem CID41489456
Molecular FormulaC23H16N4O3
Molecular Weight396.41 g/mol
Exact Mass396.12
IUPAC NameN-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide
SMILESO=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3o2)cc1
InChIInChI=1S/C23H16N4O3/c28-21(13-27-14-24-18-6-2-1-5-17(18)23(27)29)25-16-11-9-15(10-12-16)22-26-19-7-3-4-8-20(19)30-22/h1-12,14H,13H2,(H,25,28)
InChIKeyRNFKGLPJZHLCOP-UHFFFAOYSA-N
XLogP3.84
TPSA90.02 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.41
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-(1,3-benzoxazol-2-yl)phenyl]-3-(6-bromo-4-oxoquinazolin-3-yl)propanamide
CID 31158415
N-(4-bromophenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 988636
N-(2-methyl-1,3-benzoxazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 26682960
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-(3,4-dimethylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 852114
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 714396
2-(4-oxoquinazolin-3-yl)-N-[4-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 60525455
N-[4-(1,3-benzoxazol-2-yl)phenyl]acetamide
CID 762785
N-(1H-indol-6-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 39310773
N-(3-methylphenyl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 2904511
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(2,6-dimethylphenoxy)acetamide
CID 1026063

Frequently Asked Questions

What is the IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The IUPAC name of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide (CID 41489456) is N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide.
What is the SMILES notation for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The canonical SMILES for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is O=C(Cn1cnc2ccccc2c1=O)Nc1ccc(-c2nc3ccccc3o2)cc1.
What is the InChIKey of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
The InChIKey is RNFKGLPJZHLCOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16N4O3/c28-21(13-27-14-24-18-6-2-1-5-17(18)23(27)29)25-16-11-9-15(10-12-16)22-26-19-7-3-4-8-20(19)30-22/h1-12,14H,13H2,(H,25,28).
What are the key properties of N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide?
N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide has a molecular weight of 396.41 g/mol, XLogP of 3.84, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1,3-benzoxazol-2-yl)phenyl]-2-(4-oxoquinazolin-3-yl)acetamide is sourced from PubChem (CID 41489456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).