1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid

C17H26N2O4 — CID 120545063

IUPAC1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1noc(C)c1C(C)CC(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H26N2O4/c1-11(15-12(2)19-23-13(15)3)9-14(20)18-10-17(16(21)22)7-5-4-6-8-17/h11H,4-10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyIVYUYBHGDZJCFF-UHFFFAOYSA-N
MW322.41 g/mol
LogP2.94
Rot. Bonds6

About 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid

1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 120545063) has the molecular formula C17H26N2O4 and a molecular weight of 322.41 g/mol. Its IUPAC name is 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID120545063
Molecular FormulaC17H26N2O4
Molecular Weight322.41 g/mol
Exact Mass322.19
IUPAC Name1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1noc(C)c1C(C)CC(=O)NCC1(C(=O)O)CCCCC1
InChIInChI=1S/C17H26N2O4/c1-11(15-12(2)19-23-13(15)3)9-14(20)18-10-17(16(21)22)7-5-4-6-8-17/h11H,4-10H2,1-3H3,(H,18,20)(H,21,22)
InChIKeyIVYUYBHGDZJCFF-UHFFFAOYSA-N
XLogP2.94
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid with MolForge

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Related Compounds

3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-methylcyclohexyl)butanamide
CID 154739445
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoylamino]methyl]cyclohexane-1-carboxylic acid
CID 120544348
1-[(3-methylbutanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 81367949
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434
1-[(3-methylpentanoylamino)methyl]cyclopentane-1-carboxylic acid
CID 114873836
2-(3,5-dimethyl-1,2-oxazol-4-yl)-N-[(1-hydroxycycloheptyl)methyl]propanamide
CID 111428719
1-[(4-methylpentanoylamino)methyl]cyclohexane-1-carboxylic acid
CID 113309622
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-ethyl-2-hydroxybutyl)butanamide
CID 109379728
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(2-hydroxy-3-methylpentyl)butanamide
CID 109380177
1-[[(4-methoxy-3-methylbutanoyl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115432964
1-[[(3,5-dimethyl-1,2-oxazole-4-carbonyl)amino]methyl]cyclopropane-1-carboxylic acid
CID 115449567
3-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(1-hydroxy-2-methylpropan-2-yl)butanamide
CID 110000893

Frequently Asked Questions

What is the IUPAC name of 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid (CID 120545063) is 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid is Cc1noc(C)c1C(C)CC(=O)NCC1(C(=O)O)CCCCC1.
What is the InChIKey of 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is IVYUYBHGDZJCFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4/c1-11(15-12(2)19-23-13(15)3)9-14(20)18-10-17(16(21)22)7-5-4-6-8-17/h11H,4-10H2,1-3H3,(H,18,20)(H,21,22).
What are the key properties of 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 322.41 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[3-(3,5-dimethyl-1,2-oxazol-4-yl)butanoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120545063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).