N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide

C15H20ClN3O2S — CID 174460743

IUPACN-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide
SMILESCCC(N)CC(CCNC(=O)c1cnoc1)c1ccc(Cl)s1
InChIInChI=1S/C15H20ClN3O2S/c1-2-12(17)7-10(13-3-4-14(16)22-13)5-6-18-15(20)11-8-19-21-9-11/h3-4,8-10,12H,2,5-7,17H2,1H3,(H,18,20)
InChIKeyUCYAQXCPJARXHX-UHFFFAOYSA-N
MW341.86 g/mol
LogP3.42
Rot. Bonds8

About N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide

N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide (PubChem CID 174460743) has the molecular formula C15H20ClN3O2S and a molecular weight of 341.86 g/mol. Its IUPAC name is N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide
PubChem CID174460743
Molecular FormulaC15H20ClN3O2S
Molecular Weight341.86 g/mol
Exact Mass341.10
IUPAC NameN-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide
SMILESCCC(N)CC(CCNC(=O)c1cnoc1)c1ccc(Cl)s1
InChIInChI=1S/C15H20ClN3O2S/c1-2-12(17)7-10(13-3-4-14(16)22-13)5-6-18-15(20)11-8-19-21-9-11/h3-4,8-10,12H,2,5-7,17H2,1H3,(H,18,20)
InChIKeyUCYAQXCPJARXHX-UHFFFAOYSA-N
XLogP3.42
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.86
LogP ≤ 53.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide?
The IUPAC name of N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide (CID 174460743) is N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide.
What is the SMILES notation for N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide?
The canonical SMILES for N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide is CCC(N)CC(CCNC(=O)c1cnoc1)c1ccc(Cl)s1.
What is the InChIKey of N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide?
The InChIKey is UCYAQXCPJARXHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20ClN3O2S/c1-2-12(17)7-10(13-3-4-14(16)22-13)5-6-18-15(20)11-8-19-21-9-11/h3-4,8-10,12H,2,5-7,17H2,1H3,(H,18,20).
What are the key properties of N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide?
N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide has a molecular weight of 341.86 g/mol, XLogP of 3.42, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-amino-3-(5-chlorothiophen-2-yl)heptyl]-1,2-oxazole-4-carboxamide is sourced from PubChem (CID 174460743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).