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

C12H18N2O3 — CID 106370126

IUPAC3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCc1cnc(CNC2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C12H18N2O3/c1-8-6-14-11(17-8)7-13-10-4-2-3-9(5-10)12(15)16/h6,9-10,13H,2-5,7H2,1H3,(H,15,16)
InChIKeyWVCWLJNOCJQWOB-UHFFFAOYSA-N
MW238.29 g/mol
LogP1.72
Rot. Bonds4

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

3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid (PubChem CID 106370126) has the molecular formula C12H18N2O3 and a molecular weight of 238.29 g/mol. Its IUPAC name is 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
PubChem CID106370126
Molecular FormulaC12H18N2O3
Molecular Weight238.29 g/mol
Exact Mass238.13
IUPAC Name3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
SMILESCc1cnc(CNC2CCCC(C(=O)O)C2)o1
InChIInChI=1S/C12H18N2O3/c1-8-6-14-11(17-8)7-13-10-4-2-3-9(5-10)12(15)16/h6,9-10,13H,2-5,7H2,1H3,(H,15,16)
InChIKeyWVCWLJNOCJQWOB-UHFFFAOYSA-N
XLogP1.72
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 51.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-propan-2-ylcyclohexane-1-carboxamide
CID 136580637
(1R,3S)-N-methyl-3-(5-methyl-1,3-oxazol-2-yl)cyclopentan-1-amine;2,2,2-trifluoroacetic acid
CID 117890035
4-(5-Methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylic acid
CID 57516995
Methyl 4-(5-methyl-1,3-oxazol-2-yl)cyclohexane-1-carboxylate
CID 58509473
[3-(5-Methyl-1,3-oxazol-2-yl)cyclopentyl]carbamic acid
CID 68313606
[(1R,3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]carbamic acid
CID 68313607
[(3S)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]carbamic acid
CID 68313609
[(1S,3R)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]carbamic acid
CID 68313831
[(3R)-3-(5-methyl-1,3-oxazol-2-yl)cyclopentyl]carbamic acid
CID 68313834
(3R)-6-cyclohexyl-N-hydroxy-3-(5-methyl-1,3-oxazol-2-yl)hexanamide
CID 141041349
3-(5-Methyl-1,3-oxazol-2-yl)cyclohexan-1-amine
CID 163786624
4-[(5-Tert-butyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid
CID 60809710

Frequently Asked Questions

What is the IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid (CID 106370126) is 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid is Cc1cnc(CNC2CCCC(C(=O)O)C2)o1.
What is the InChIKey of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is WVCWLJNOCJQWOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O3/c1-8-6-14-11(17-8)7-13-10-4-2-3-9(5-10)12(15)16/h6,9-10,13H,2-5,7H2,1H3,(H,15,16).
What are the key properties of 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid?
3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 238.29 g/mol, XLogP of 1.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-methyl-1,3-oxazol-2-yl)methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106370126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).