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

C15H18N2O4 — CID 63042810

IUPAC3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCc2cc(-c3ccco3)on2)C1
InChIInChI=1S/C15H18N2O4/c18-15(19)10-3-1-4-11(7-10)16-9-12-8-14(21-17-12)13-5-2-6-20-13/h2,5-6,8,10-11,16H,1,3-4,7,9H2,(H,18,19)
InChIKeyZSTSGNBTZHCTGC-UHFFFAOYSA-N
MW290.32 g/mol
LogP2.67
Rot. Bonds5

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

3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid (PubChem CID 63042810) has the molecular formula C15H18N2O4 and a molecular weight of 290.32 g/mol. Its IUPAC name is 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid
PubChem CID63042810
Molecular FormulaC15H18N2O4
Molecular Weight290.32 g/mol
Exact Mass290.13
IUPAC Name3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid
SMILESO=C(O)C1CCCC(NCc2cc(-c3ccco3)on2)C1
InChIInChI=1S/C15H18N2O4/c18-15(19)10-3-1-4-11(7-10)16-9-12-8-14(21-17-12)13-5-2-6-20-13/h2,5-6,8,10-11,16H,1,3-4,7,9H2,(H,18,19)
InChIKeyZSTSGNBTZHCTGC-UHFFFAOYSA-N
XLogP2.67
TPSA88.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]piperidine-3-carboxylic acid
CID 43440721
3-(pyrimidin-4-ylmethylamino)cyclohexane-1-carboxylic acid
CID 65066829
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
3-[(2-ethyl-1,3-thiazol-4-yl)methylamino]cyclohexane-1-carboxylic acid
CID 63042984
1-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]pyrrolidine-2-carboxylic acid
CID 43441750
3-[(3-cyclopropylphenyl)methylamino]cyclohexane-1-carboxylic acid
CID 79978495
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
1-[5-(furan-2-yl)-1,2-oxazole-3-carbonyl]piperidine-3-carboxylic acid
CID 43171030
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2,3-dimethylbutanamide
CID 118334208
4-butyl-N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]cyclohexane-1-carboxamide
CID 30607957
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclohexanamine
CID 170752624

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid?
The IUPAC name of 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid (CID 63042810) is 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid?
The canonical SMILES for 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid is O=C(O)C1CCCC(NCc2cc(-c3ccco3)on2)C1.
What is the InChIKey of 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid?
The InChIKey is ZSTSGNBTZHCTGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4/c18-15(19)10-3-1-4-11(7-10)16-9-12-8-14(21-17-12)13-5-2-6-20-13/h2,5-6,8,10-11,16H,1,3-4,7,9H2,(H,18,19).
What are the key properties of 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid?
3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid has a molecular weight of 290.32 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methylamino]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63042810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).