N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

C16H10Cl2N4O3 — CID 154851864

IUPACN-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc2nonc12)C1CC(c2ccc(Cl)cc2Cl)=NO1
InChIInChI=1S/C16H10Cl2N4O3/c17-8-4-5-9(10(18)6-8)13-7-14(24-20-13)16(23)19-11-2-1-3-12-15(11)22-25-21-12/h1-6,14H,7H2,(H,19,23)
InChIKeyHRVWFLVSTRLSJF-UHFFFAOYSA-N
MW377.19 g/mol
LogP3.66
Rot. Bonds3

About N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide

N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (PubChem CID 154851864) has the molecular formula C16H10Cl2N4O3 and a molecular weight of 377.19 g/mol. Its IUPAC name is N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.

Molecular Properties

Compound NameN-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
PubChem CID154851864
Molecular FormulaC16H10Cl2N4O3
Molecular Weight377.19 g/mol
Exact Mass376.01
IUPAC NameN-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
SMILESO=C(Nc1cccc2nonc12)C1CC(c2ccc(Cl)cc2Cl)=NO1
InChIInChI=1S/C16H10Cl2N4O3/c17-8-4-5-9(10(18)6-8)13-7-14(24-20-13)16(23)19-11-2-1-3-12-15(11)22-25-21-12/h1-6,14H,7H2,(H,19,23)
InChIKeyHRVWFLVSTRLSJF-UHFFFAOYSA-N
XLogP3.66
TPSA89.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.19
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2,4-dichlorophenyl)-N-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 166188584
3-(2,4-dichlorophenyl)-N-(2-methyl-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 71883639
(5R)-3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093553
(5S)-3-(2,4-dichlorophenyl)-N-[(2R)-1-oxo-1-pyrrolidin-1-ylpropan-2-yl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 96999306
(5S)-3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1093568
3-(2-chloro-6-fluorophenyl)-N-(5-chloro-2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 3158034
(5S)-3-(3-bromophenyl)-N-(5-chloro-2-hydroxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 1302199
N-(3-chloro-2-fluorophenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427461
N-(5-chloro-2-methylphenyl)-3-(3-fluorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 46427536
1-[[(5R)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carbonyl]amino]-3-[[(2R)-oxolan-2-yl]methyl]urea
CID 97010768
3-(2,4-dichlorophenyl)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 56799051
N-(3-chlorophenyl)-3-(2-methoxyphenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide
CID 19493687

Frequently Asked Questions

What is the IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The IUPAC name of N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide (CID 154851864) is N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide.
What is the SMILES notation for N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The canonical SMILES for N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is O=C(Nc1cccc2nonc12)C1CC(c2ccc(Cl)cc2Cl)=NO1.
What is the InChIKey of N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
The InChIKey is HRVWFLVSTRLSJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10Cl2N4O3/c17-8-4-5-9(10(18)6-8)13-7-14(24-20-13)16(23)19-11-2-1-3-12-15(11)22-25-21-12/h1-6,14H,7H2,(H,19,23).
What are the key properties of N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide?
N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide has a molecular weight of 377.19 g/mol, XLogP of 3.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,1,3-benzoxadiazol-4-yl)-3-(2,4-dichlorophenyl)-4,5-dihydro-1,2-oxazole-5-carboxamide is sourced from PubChem (CID 154851864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).