N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine

C10H10Cl2N2OS — CID 107966691

IUPACN-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C10H10Cl2N2OS/c1-2-13-5-9-14-4-7(15-9)6-3-8(11)16-10(6)12/h3-4,13H,2,5H2,1H3
InChIKeySCZGREJWNSUJOQ-UHFFFAOYSA-N
MW277.18 g/mol
LogP3.82
Rot. Bonds4

About N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine

N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine (PubChem CID 107966691) has the molecular formula C10H10Cl2N2OS and a molecular weight of 277.18 g/mol. Its IUPAC name is N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine.

Molecular Properties

Compound NameN-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
PubChem CID107966691
Molecular FormulaC10H10Cl2N2OS
Molecular Weight277.18 g/mol
Exact Mass275.99
IUPAC NameN-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
SMILESCCNCc1ncc(-c2cc(Cl)sc2Cl)o1
InChIInChI=1S/C10H10Cl2N2OS/c1-2-13-5-9-14-4-7(15-9)6-3-8(11)16-10(6)12/h3-4,13H,2,5H2,1H3
InChIKeySCZGREJWNSUJOQ-UHFFFAOYSA-N
XLogP3.82
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.18
LogP ≤ 53.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine with MolForge

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Related Compounds

N-[[5-(4-chloro-2,5-difluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 82773672
N-[[5-(2-bromo-4-chlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 107994680
N-[[5-(2,3-dichlorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179221
N-[[5-(4,5-dibromothiophen-2-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 80538087
N-[[5-(2,4,5-trimethoxyphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65178890
N-[[5-(1-benzothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65184230
N-[[5-(4-chloro-2,5-difluorophenyl)-1,3-oxazol-2-yl]methyl]propan-1-amine
CID 82773781
N-[[4-(2,5-dichlorothiophen-3-yl)-1,3-thiazol-2-yl]methyl]ethanamine;hydrochloride
CID 120558434
N-[[5-(3-fluorophenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 54516373
N-[[5-(3-fluoro-4-methylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 65179112
N-[[5-(4-methylsulfanylphenyl)-1,3-oxazol-2-yl]methyl]ethanamine
CID 79206694
2-[5-(2,5-dichlorophenyl)-1,3-oxazol-2-yl]-N-ethylethanamine
CID 65183095

Frequently Asked Questions

What is the IUPAC name of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The IUPAC name of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine (CID 107966691) is N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine.
What is the SMILES notation for N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The canonical SMILES for N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine is CCNCc1ncc(-c2cc(Cl)sc2Cl)o1.
What is the InChIKey of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
The InChIKey is SCZGREJWNSUJOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10Cl2N2OS/c1-2-13-5-9-14-4-7(15-9)6-3-8(11)16-10(6)12/h3-4,13H,2,5H2,1H3.
What are the key properties of N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine?
N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine has a molecular weight of 277.18 g/mol, XLogP of 3.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(2,5-dichlorothiophen-3-yl)-1,3-oxazol-2-yl]methyl]ethanamine is sourced from PubChem (CID 107966691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).