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

C13H18N2O4 — CID 63783676

IUPAC4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(CNC(=O)C2CCC(C(=O)O)CC2)no1
InChIInChI=1S/C13H18N2O4/c1-8-6-11(15-19-8)7-14-12(16)9-2-4-10(5-3-9)13(17)18/h6,9-10H,2-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyJZRZWFIUKVVQRU-UHFFFAOYSA-N
MW266.30 g/mol
LogP1.49
Rot. Bonds4

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

4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 63783676) has the molecular formula C13H18N2O4 and a molecular weight of 266.30 g/mol. Its IUPAC name is 4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID63783676
Molecular FormulaC13H18N2O4
Molecular Weight266.30 g/mol
Exact Mass266.13
IUPAC Name4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(CNC(=O)C2CCC(C(=O)O)CC2)no1
InChIInChI=1S/C13H18N2O4/c1-8-6-11(15-19-8)7-14-12(16)9-2-4-10(5-3-9)13(17)18/h6,9-10H,2-5,7H2,1H3,(H,14,16)(H,17,18)
InChIKeyJZRZWFIUKVVQRU-UHFFFAOYSA-N
XLogP1.49
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783675
N-[2-[(5-methyl-1,2-oxazol-3-yl)methylsulfonylamino]ethyl]cyclopropanecarboxamide
CID 115633596
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanecarboxamide
CID 53017058
(Z)-2,3-dimethyl-4-[(5-methyl-1,2-oxazol-3-yl)methylamino]-4-oxobut-2-enoic acid
CID 55168124
4-methyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]piperidine-2-carboxamide
CID 114423857
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173
tert-butyl (2R)-2-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]piperidine-1-carboxylate
CID 94799566
(1S,3R,4R)-4-(benzylcarbamoylamino)-3-methoxy-N-[(5-methyl-1,2-oxazol-3-yl)methyl]cyclohexane-1-carboxamide
CID 162626449
1-[2-(5-methyl-1,2-oxazol-3-yl)acetyl]piperidine-4-carboxylic acid
CID 110836609
N-[[5-(4-methylphenyl)-1,2-oxazol-3-yl]methyl]cyclohexanecarboxamide
CID 16866590
3,3-dimethyl-N-[(5-methyl-1,2-oxazol-3-yl)methyl]butanamide
CID 47728425
4-[(4-methylphenyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63784141

Frequently Asked Questions

What is the IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 63783676) is 4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is Cc1cc(CNC(=O)C2CCC(C(=O)O)CC2)no1.
What is the InChIKey of 4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is JZRZWFIUKVVQRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4/c1-8-6-11(15-19-8)7-14-12(16)9-2-4-10(5-3-9)13(17)18/h6,9-10H,2-5,7H2,1H3,(H,14,16)(H,17,18).
What are the key properties of 4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 266.30 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 63783676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).