[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine

C10H8Cl2N2O — CID 79139040

IUPAC[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2N2O/c11-7-1-6(2-8(12)3-7)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2
InChIKeyMBOLIWVZEYUALH-UHFFFAOYSA-N
MW243.09 g/mol
LogP3.11
Rot. Bonds2

About [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine

[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine (PubChem CID 79139040) has the molecular formula C10H8Cl2N2O and a molecular weight of 243.09 g/mol. Its IUPAC name is [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
PubChem CID79139040
Molecular FormulaC10H8Cl2N2O
Molecular Weight243.09 g/mol
Exact Mass242.00
IUPAC Name[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine
SMILESNCc1ncoc1-c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C10H8Cl2N2O/c11-7-1-6(2-8(12)3-7)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2
InChIKeyMBOLIWVZEYUALH-UHFFFAOYSA-N
XLogP3.11
TPSA52.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.09
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(4-Chlorophenyl)-1,3-oxazole-4-carbohydrazide
CID 2739497
N4-phenyl-5-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739494
N4-methyl-5-(4-chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739496
5-Phenyl-1,3-oxazole-4-carboxamide
CID 2739492
[5-(4-Chlorophenyl)-4-methyl-1,3-oxazol-2-yl]methanamine
CID 71683764
5-(4-Chlorophenyl)-4-methyl-1,3-oxazole
CID 12377497
1-[5-(2,4-Difluorophenyl)-1,3-oxazol-4-yl]methanamine hydrochloride
CID 155822849
1-[[5-(4-Fluorophenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-amine
CID 131701357
5-(2-Chlorophenyl)-1,3-oxazole-4-carboxamide
CID 2739760
5-(3-Chlorophenyl)-1,3-oxazole-4-carbonitrile
CID 2739769
5-(3-chlorophenyl)-N,N-bis[(3-chlorophenyl)methyl]oxazole-4-carboxamide
CID 71596650
N-[(5-phenyl-1,3-oxazol-4-yl)methyl]-3-sulfanylpropanamide
CID 177681265

Frequently Asked Questions

What is the IUPAC name of [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine (CID 79139040) is [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine is NCc1ncoc1-c1cc(Cl)cc(Cl)c1.
What is the InChIKey of [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine?
The InChIKey is MBOLIWVZEYUALH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2O/c11-7-1-6(2-8(12)3-7)10-9(4-13)14-5-15-10/h1-3,5H,4,13H2.
What are the key properties of [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine?
[5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine has a molecular weight of 243.09 g/mol, XLogP of 3.11, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(3,5-dichlorophenyl)-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 79139040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).