1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine

C15H15ClN2O2S — CID 79231629

IUPAC1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine
SMILESCc1noc(C)c1CNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClN2O2S/c1-9-11(10(2)20-18-9)8-17-15(12-4-3-7-19-12)13-5-6-14(16)21-13/h3-7,15,17H,8H2,1-2H3
InChIKeyFWMSMUCETVLSLB-UHFFFAOYSA-N
MW322.82 g/mol
LogP4.48
Rot. Bonds5

About 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine

1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine (PubChem CID 79231629) has the molecular formula C15H15ClN2O2S and a molecular weight of 322.82 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine
PubChem CID79231629
Molecular FormulaC15H15ClN2O2S
Molecular Weight322.82 g/mol
Exact Mass322.05
IUPAC Name1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine
SMILESCc1noc(C)c1CNC(c1ccco1)c1ccc(Cl)s1
InChIInChI=1S/C15H15ClN2O2S/c1-9-11(10(2)20-18-9)8-17-15(12-4-3-7-19-12)13-5-6-14(16)21-13/h3-7,15,17H,8H2,1-2H3
InChIKeyFWMSMUCETVLSLB-UHFFFAOYSA-N
XLogP4.48
TPSA51.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.82
LogP ≤ 54.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine with MolForge

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Related Compounds

1-(5-chlorothiophen-2-yl)-N-[(5-ethylthiophen-2-yl)methyl]-1-(furan-2-yl)methanamine
CID 106009564
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methylbutan-1-amine
CID 62694537
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]octan-1-amine
CID 115566785
N'-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]propane-1,3-diamine
CID 60895734
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-2-methoxy-2-methylpropan-1-amine
CID 104759481
3-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-2,2-dimethylpropan-1-ol
CID 115359136
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-propan-2-ylacetamide
CID 43777895
2-[[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]amino]-N-ethylethanesulfonamide
CID 106334631
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]-4-propan-2-yloxybutan-1-amine
CID 106007751
N'-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)-N,N-dimethylethane-1,2-diamine
CID 43183533
N-[(5-chlorothiophen-2-yl)-(furan-2-yl)methyl]hexan-3-amine
CID 62117806

Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine?
The IUPAC name of 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine (CID 79231629) is 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine is Cc1noc(C)c1CNC(c1ccco1)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine?
The InChIKey is FWMSMUCETVLSLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClN2O2S/c1-9-11(10(2)20-18-9)8-17-15(12-4-3-7-19-12)13-5-6-14(16)21-13/h3-7,15,17H,8H2,1-2H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine?
1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine has a molecular weight of 322.82 g/mol, XLogP of 4.48, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(furan-2-yl)methanamine is sourced from PubChem (CID 79231629), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).