N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide

C15H9Cl2N3O3 — CID 87890391

IUPACN-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide
SMILESO=CN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2ocnc2c1
InChIInChI=1S/C15H9Cl2N3O3/c16-11-3-1-9(5-12(11)17)19-15(22)20(8-21)10-2-4-14-13(6-10)18-7-23-14/h1-8H,(H,19,22)
InChIKeyOKRQWJJAGPPTJQ-UHFFFAOYSA-N
MW350.16 g/mol
LogP4.33
Rot. Bonds3

About N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide

N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide (PubChem CID 87890391) has the molecular formula C15H9Cl2N3O3 and a molecular weight of 350.16 g/mol. Its IUPAC name is N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide.

Molecular Properties

Compound NameN-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide
PubChem CID87890391
Molecular FormulaC15H9Cl2N3O3
Molecular Weight350.16 g/mol
Exact Mass349.00
IUPAC NameN-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide
SMILESO=CN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2ocnc2c1
InChIInChI=1S/C15H9Cl2N3O3/c16-11-3-1-9(5-12(11)17)19-15(22)20(8-21)10-2-4-14-13(6-10)18-7-23-14/h1-8H,(H,19,22)
InChIKeyOKRQWJJAGPPTJQ-UHFFFAOYSA-N
XLogP4.33
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.16
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzoxazol-6-yl)-N-[[4-(trifluoromethyl)phenyl]carbamoyl]formamide
CID 87890809
N-(1,3-benzodioxol-5-yl)-N-[(3-chloro-4-methoxyphenyl)carbamoyl]formamide
CID 87890643
N-(3-chloro-4-fluorophenyl)-1,3-benzoxazole-5-carboxamide
CID 110388195
N-[1,3-benzoxazol-5-yl-(3-bromophenyl)carbamoyl]formamide
CID 141100811
N-(1,3-benzoxazol-6-yl)acetamide
CID 54228397
N-[[4-chloro-3-(trifluoromethyl)phenyl]carbamoyl]-N-(1,2,3,4-tetrahydroquinoxalin-6-yl)formamide
CID 141055660
N-(3-bromophenyl)-N-(2,3-dihydro-1,4-benzodioxin-6-ylcarbamoyl)formamide
CID 22647661
N-(1,3-benzoxazol-5-yl)-5-bromopyrazine-2-carboxamide
CID 112525478
3-(3,4-dichlorophenyl)-1-methyl-1-(methylamino)urea
CID 12537925
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(3-phenylphenyl)carbamoyl]formamide
CID 87843803
N-(1,3-benzodioxol-5-yl)-1,3-benzoxazole-5-carboxamide
CID 110388239
N-[(3,4-dichlorophenyl)-formylcarbamoyl]-N-methylformamide
CID 14796735

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide?
The IUPAC name of N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide (CID 87890391) is N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide.
What is the SMILES notation for N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide?
The canonical SMILES for N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide is O=CN(C(=O)Nc1ccc(Cl)c(Cl)c1)c1ccc2ocnc2c1.
What is the InChIKey of N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide?
The InChIKey is OKRQWJJAGPPTJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9Cl2N3O3/c16-11-3-1-9(5-12(11)17)19-15(22)20(8-21)10-2-4-14-13(6-10)18-7-23-14/h1-8H,(H,19,22).
What are the key properties of N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide?
N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide has a molecular weight of 350.16 g/mol, XLogP of 4.33, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzoxazol-5-yl)-N-[(3,4-dichlorophenyl)carbamoyl]formamide is sourced from PubChem (CID 87890391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).