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

C16H24N2O4 — CID 120673692

IUPAC4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(CNC(=O)C2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)12-8-17-13(22-12)9-18-14(19)10-4-6-11(7-5-10)15(20)21/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyNNFMOCQUBOTMOT-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.48
Rot. Bonds4

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

4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (PubChem CID 120673692) has the molecular formula C16H24N2O4 and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
PubChem CID120673692
Molecular FormulaC16H24N2O4
Molecular Weight308.38 g/mol
Exact Mass308.17
IUPAC Name4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
SMILESCC(C)(C)c1cnc(CNC(=O)C2CCC(C(=O)O)CC2)o1
InChIInChI=1S/C16H24N2O4/c1-16(2,3)12-8-17-13(22-12)9-18-14(19)10-4-6-11(7-5-10)15(20)21/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)(H,20,21)
InChIKeyNNFMOCQUBOTMOT-UHFFFAOYSA-N
XLogP2.48
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]cyclohexane-1-carboxamide
CID 106371098
2-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]acetic acid
CID 43465803
(3R,4S)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-4-(1-methylpyrazol-4-yl)pyrrolidine-3-carboxamide;hydrochloride
CID 120933209
N-[2-[4-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-1,4-diazepan-1-yl]-2-oxoethyl]cyclopropanecarboxamide
CID 95751823
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]piperidine-4-carboxamide
CID 106371216
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676
4-[3-[(5-tert-butyl-1,3-oxazol-2-yl)methylamino]-3-oxopropyl]benzoic acid
CID 119185478
tert-butyl 2-[[[N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-N'-methylcarbamimidoyl]amino]methyl]piperidine-1-carboxylate;hydroiodide
CID 111592662
4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide
CID 120933208
4-(1,3-thiazol-4-ylmethylcarbamoyl)cyclohexane-1-carboxylic acid
CID 63824173
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120991561
2-amino-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]-3-methoxypropanamide
CID 120991562

Frequently Asked Questions

What is the IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid (CID 120673692) is 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is CC(C)(C)c1cnc(CNC(=O)C2CCC(C(=O)O)CC2)o1.
What is the InChIKey of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
The InChIKey is NNFMOCQUBOTMOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4/c1-16(2,3)12-8-17-13(22-12)9-18-14(19)10-4-6-11(7-5-10)15(20)21/h8,10-11H,4-7,9H2,1-3H3,(H,18,19)(H,20,21).
What are the key properties of 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid?
4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid has a molecular weight of 308.38 g/mol, XLogP of 2.48, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(5-tert-butyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 120673692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).