N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide

C14H17N3O3S — CID 652358

IUPACN'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide
SMILESCc1cc(NC(=O)CCCC(=O)NCc2cccs2)no1
InChIInChI=1S/C14H17N3O3S/c1-10-8-12(17-20-10)16-14(19)6-2-5-13(18)15-9-11-4-3-7-21-11/h3-4,7-8H,2,5-6,9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyKOWZUUSYBCLNIB-UHFFFAOYSA-N
MW307.38 g/mol
LogP2.47
Rot. Bonds7

About N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide

N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide (PubChem CID 652358) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide
PubChem CID652358
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC NameN'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide
SMILESCc1cc(NC(=O)CCCC(=O)NCc2cccs2)no1
InChIInChI=1S/C14H17N3O3S/c1-10-8-12(17-20-10)16-14(19)6-2-5-13(18)15-9-11-4-3-7-21-11/h3-4,7-8H,2,5-6,9H2,1H3,(H,15,18)(H,16,17,19)
InChIKeyKOWZUUSYBCLNIB-UHFFFAOYSA-N
XLogP2.47
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 52.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide?
The IUPAC name of N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide (CID 652358) is N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide is Cc1cc(NC(=O)CCCC(=O)NCc2cccs2)no1.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide?
The InChIKey is KOWZUUSYBCLNIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-10-8-12(17-20-10)16-14(19)6-2-5-13(18)15-9-11-4-3-7-21-11/h3-4,7-8H,2,5-6,9H2,1H3,(H,15,18)(H,16,17,19).
What are the key properties of N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide?
N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide has a molecular weight of 307.38 g/mol, XLogP of 2.47, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-3-yl)-N-(thiophen-2-ylmethyl)pentanediamide is sourced from PubChem (CID 652358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).