4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide

C14H25N3O2 — CID 65487579

IUPAC4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide
SMILESCCCC(CCN)CCC(=O)Nc1onc(C)c1C
InChIInChI=1S/C14H25N3O2/c1-4-5-12(8-9-15)6-7-13(18)16-14-10(2)11(3)17-19-14/h12H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyCPMXIUFBWWTEOC-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.78
Rot. Bonds8

About 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide

4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide (PubChem CID 65487579) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide
PubChem CID65487579
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide
SMILESCCCC(CCN)CCC(=O)Nc1onc(C)c1C
InChIInChI=1S/C14H25N3O2/c1-4-5-12(8-9-15)6-7-13(18)16-14-10(2)11(3)17-19-14/h12H,4-9,15H2,1-3H3,(H,16,18)
InChIKeyCPMXIUFBWWTEOC-UHFFFAOYSA-N
XLogP2.78
TPSA81.15 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide?
The IUPAC name of 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide (CID 65487579) is 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide?
The canonical SMILES for 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide is CCCC(CCN)CCC(=O)Nc1onc(C)c1C.
What is the InChIKey of 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide?
The InChIKey is CPMXIUFBWWTEOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-5-12(8-9-15)6-7-13(18)16-14-10(2)11(3)17-19-14/h12H,4-9,15H2,1-3H3,(H,16,18).
What are the key properties of 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide?
4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide has a molecular weight of 267.37 g/mol, XLogP of 2.78, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-(3,4-dimethyl-1,2-oxazol-5-yl)heptanamide is sourced from PubChem (CID 65487579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).