N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide

C15H20ClN3O2S — CID 119657908

IUPACN-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C15H20ClN3O2S/c1-9(2)10(17)6-7-19(3)15(20)11-8-12(21-18-11)13-4-5-14(16)22-13/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeyYEUASVZMXGVPKY-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.50
Rot. Bonds6

About N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide

N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide (PubChem CID 119657908) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
PubChem CID119657908
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1cc(-c2ccc(Cl)s2)on1
InChIInChI=1S/C15H20ClN3O2S/c1-9(2)10(17)6-7-19(3)15(20)11-8-12(21-18-11)13-4-5-14(16)22-13/h4-5,8-10H,6-7,17H2,1-3H3
InChIKeyYEUASVZMXGVPKY-UHFFFAOYSA-N
XLogP3.50
TPSA72.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide (CID 119657908) is N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide is CC(C)C(N)CCN(C)C(=O)c1cc(-c2ccc(Cl)s2)on1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
The InChIKey is YEUASVZMXGVPKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-9(2)10(17)6-7-19(3)15(20)11-8-12(21-18-11)13-4-5-14(16)22-13/h4-5,8-10H,6-7,17H2,1-3H3.
What are the key properties of N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide?
N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide has a molecular weight of 341.86 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-(5-chlorothiophen-2-yl)-N-methyl-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 119657908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).