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

C14H21N3O4 — CID 79529652

IUPAC4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)CNCC2CCC(C(=O)O)CC2)no1
InChIInChI=1S/C14H21N3O4/c1-9-6-12(17-21-9)16-13(18)8-15-7-10-2-4-11(5-3-10)14(19)20/h6,10-11,15H,2-5,7-8H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyOKFUWDKNJIDXEE-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.40
Rot. Bonds6

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

4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 79529652) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
PubChem CID79529652
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(NC(=O)CNCC2CCC(C(=O)O)CC2)no1
InChIInChI=1S/C14H21N3O4/c1-9-6-12(17-21-9)16-13(18)8-15-7-10-2-4-11(5-3-10)14(19)20/h6,10-11,15H,2-5,7-8H2,1H3,(H,19,20)(H,16,17,18)
InChIKeyOKFUWDKNJIDXEE-UHFFFAOYSA-N
XLogP1.40
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.40
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

2-(cyclopropylmethylamino)-N-methyl-N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]acetamide;hydrochloride
CID 119697251
N-(5-methyl-1,2-oxazol-3-yl)-2-(thian-4-yl)acetamide
CID 110865536
3-[4-(ethylaminomethyl)piperidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)propanamide;hydrochloride
CID 119927941
1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]pyrrolidine-2-carboxylic acid
CID 43441827
2-[1-[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]piperidin-4-yl]acetic acid
CID 79612210
2-(cyclohexylamino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 813408
N-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]oxane-4-carboxamide
CID 113002379
4-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 63783676
4-N-(5-methyl-1,2-oxazol-3-yl)-1-N-phenylcyclohexane-1,4-dicarboxamide
CID 109150357
1-[2-[1-[(5-methyl-1,2-oxazol-3-yl)amino]-1-oxopropan-2-yl]sulfanylacetyl]piperidine-4-carboxylic acid
CID 119349491
1-methyl-N-(5-methyl-1,2-oxazol-3-yl)piperidine-4-carboxamide
CID 110693557
2-[[3-[(5-methyl-1,2-oxazol-3-yl)amino]-3-oxopropyl]amino]acetic acid
CID 43465797

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid (CID 79529652) is 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid is Cc1cc(NC(=O)CNCC2CCC(C(=O)O)CC2)no1.
What is the InChIKey of 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is OKFUWDKNJIDXEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-6-12(17-21-9)16-13(18)8-15-7-10-2-4-11(5-3-10)14(19)20/h6,10-11,15H,2-5,7-8H2,1H3,(H,19,20)(H,16,17,18).
What are the key properties of 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid?
4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.40, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 79529652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).