5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide

C16H26N4O3 — CID 173221947

IUPAC5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide
SMILESCN(CCNc1cc(C(N)=O)no1)C(=O)CCC1CCCCC1
InChIInChI=1S/C16H26N4O3/c1-20(15(21)8-7-12-5-3-2-4-6-12)10-9-18-14-11-13(16(17)22)19-23-14/h11-12,18H,2-10H2,1H3,(H2,17,22)
InChIKeySJGIDGTWTGXFCH-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.00
Rot. Bonds8

About 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide

5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide (PubChem CID 173221947) has the molecular formula C16H26N4O3 and a molecular weight of 322.41 g/mol. Its IUPAC name is 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide.

Molecular Properties

Compound Name5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide
PubChem CID173221947
Molecular FormulaC16H26N4O3
Molecular Weight322.41 g/mol
Exact Mass322.20
IUPAC Name5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide
SMILESCN(CCNc1cc(C(N)=O)no1)C(=O)CCC1CCCCC1
InChIInChI=1S/C16H26N4O3/c1-20(15(21)8-7-12-5-3-2-4-6-12)10-9-18-14-11-13(16(17)22)19-23-14/h11-12,18H,2-10H2,1H3,(H2,17,22)
InChIKeySJGIDGTWTGXFCH-UHFFFAOYSA-N
XLogP2.00
TPSA101.46 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide?
The IUPAC name of 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide (CID 173221947) is 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide.
What is the SMILES notation for 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide?
The canonical SMILES for 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide is CN(CCNc1cc(C(N)=O)no1)C(=O)CCC1CCCCC1.
What is the InChIKey of 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide?
The InChIKey is SJGIDGTWTGXFCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O3/c1-20(15(21)8-7-12-5-3-2-4-6-12)10-9-18-14-11-13(16(17)22)19-23-14/h11-12,18H,2-10H2,1H3,(H2,17,22).
What are the key properties of 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide?
5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide has a molecular weight of 322.41 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[3-cyclohexylpropanoyl(methyl)amino]ethylamino]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 173221947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).