(2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide

C17H28N2O3 — CID 70410913

IUPAC(2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide
SMILESCc1nc(CCC[C@H](O)C(=O)NCC2CCCCC2)oc1C
InChIInChI=1S/C17H28N2O3/c1-12-13(2)22-16(19-12)10-6-9-15(20)17(21)18-11-14-7-4-3-5-8-14/h14-15,20H,3-11H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyJGEFFCIYDAOYMI-HNNXBMFYSA-N
MW308.42 g/mol
LogP2.67
Rot. Bonds7

About (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide

(2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide (PubChem CID 70410913) has the molecular formula C17H28N2O3 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide.

Molecular Properties

Compound Name(2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide
PubChem CID70410913
Molecular FormulaC17H28N2O3
Molecular Weight308.42 g/mol
Exact Mass308.21
IUPAC Name(2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide
SMILESCc1nc(CCC[C@H](O)C(=O)NCC2CCCCC2)oc1C
InChIInChI=1S/C17H28N2O3/c1-12-13(2)22-16(19-12)10-6-9-15(20)17(21)18-11-14-7-4-3-5-8-14/h14-15,20H,3-11H2,1-2H3,(H,18,21)/t15-/m0/s1
InChIKeyJGEFFCIYDAOYMI-HNNXBMFYSA-N
XLogP2.67
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide?
The IUPAC name of (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide (CID 70410913) is (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide.
What is the SMILES notation for (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide?
The canonical SMILES for (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide is Cc1nc(CCC[C@H](O)C(=O)NCC2CCCCC2)oc1C.
What is the InChIKey of (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide?
The InChIKey is JGEFFCIYDAOYMI-HNNXBMFYSA-N. The full InChI is InChI=1S/C17H28N2O3/c1-12-13(2)22-16(19-12)10-6-9-15(20)17(21)18-11-14-7-4-3-5-8-14/h14-15,20H,3-11H2,1-2H3,(H,18,21)/t15-/m0/s1.
What are the key properties of (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide?
(2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide has a molecular weight of 308.42 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(cyclohexylmethyl)-5-(4,5-dimethyl-1,3-oxazol-2-yl)-2-hydroxypentanamide is sourced from PubChem (CID 70410913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).