N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide

C17H12BrClN2O2 — CID 53421717

IUPACN-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide
SMILESCc1onc(-c2ccccc2Cl)c1N(C=O)c1cccc(Br)c1
InChIInChI=1S/C17H12BrClN2O2/c1-11-17(21(10-22)13-6-4-5-12(18)9-13)16(20-23-11)14-7-2-3-8-15(14)19/h2-10H,1H3
InChIKeyIIAMNTHCEKSHDP-UHFFFAOYSA-N
MW391.65 g/mol
LogP5.36
Rot. Bonds4

About N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide

N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide (PubChem CID 53421717) has the molecular formula C17H12BrClN2O2 and a molecular weight of 391.65 g/mol. Its IUPAC name is N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide.

Molecular Properties

Compound NameN-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide
PubChem CID53421717
Molecular FormulaC17H12BrClN2O2
Molecular Weight391.65 g/mol
Exact Mass389.98
IUPAC NameN-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide
SMILESCc1onc(-c2ccccc2Cl)c1N(C=O)c1cccc(Br)c1
InChIInChI=1S/C17H12BrClN2O2/c1-11-17(21(10-22)13-6-4-5-12(18)9-13)16(20-23-11)14-7-2-3-8-15(14)19/h2-10H,1H3
InChIKeyIIAMNTHCEKSHDP-UHFFFAOYSA-N
XLogP5.36
TPSA46.34 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500391.65
LogP ≤ 55.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenoxyphenyl)formamide
CID 53432907
1,3-diamino-1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]urea
CID 138739382
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-[4-(diethylamino)phenyl]formamide
CID 53432875
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl] formate
CID 174278900
N-[3-(2,6-dichlorophenyl)-5-methyl-1,2-oxazol-4-yl]-N-(4-phenyl-1,3-thiazol-2-yl)formamide
CID 53432877
N-(5-methyl-3-phenyl-1,2-oxazol-4-yl)-N-[4-(trifluoromethylsulfanyl)phenyl]formamide
CID 57367410
3-(2-chlorophenyl)-N-(4-chlorophenyl)-N,5-dimethyl-1,2-oxazole-4-carboxamide
CID 44605616
N-[(4-bromothiophen-2-yl)methyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 78892389
N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carboxamide
CID 31367998
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
1-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]but-3-en-1-one
CID 11032674
4-bromo-3-(2-chlorophenyl)-1,2-oxazol-5-amine
CID 83913780

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide?
The IUPAC name of N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide (CID 53421717) is N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide.
What is the SMILES notation for N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide?
The canonical SMILES for N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide is Cc1onc(-c2ccccc2Cl)c1N(C=O)c1cccc(Br)c1.
What is the InChIKey of N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide?
The InChIKey is IIAMNTHCEKSHDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrClN2O2/c1-11-17(21(10-22)13-6-4-5-12(18)9-13)16(20-23-11)14-7-2-3-8-15(14)19/h2-10H,1H3.
What are the key properties of N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide?
N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide has a molecular weight of 391.65 g/mol, XLogP of 5.36, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-N-[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]formamide is sourced from PubChem (CID 53421717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).