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

C14H21N3O4 — CID 115436856

IUPAC1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(CNC(=O)NCC2(C(=O)O)CCCCC2)no1
InChIInChI=1S/C14H21N3O4/c1-10-7-11(17-21-10)8-15-13(20)16-9-14(12(18)19)5-3-2-4-6-14/h7H,2-6,8-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyRSFZPSIYZTXPDK-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.82
Rot. Bonds5

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

1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (PubChem CID 115436856) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
PubChem CID115436856
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
SMILESCc1cc(CNC(=O)NCC2(C(=O)O)CCCCC2)no1
InChIInChI=1S/C14H21N3O4/c1-10-7-11(17-21-10)8-15-13(20)16-9-14(12(18)19)5-3-2-4-6-14/h7H,2-6,8-9H2,1H3,(H,18,19)(H2,15,16,20)
InChIKeyRSFZPSIYZTXPDK-UHFFFAOYSA-N
XLogP1.82
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(2-methyl-1,3-thiazol-4-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436821
1-[[[2-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]sulfanylacetyl]amino]methyl]cyclohexane-1-carboxylic acid
CID 120543650
1-[[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]methyl]cyclopentane-1-carboxylic acid
CID 115434434
1-[(5-methyl-1,2-oxazol-3-yl)methyl]-3-propan-2-ylurea
CID 110747518
1-[(5-methyl-1,2-oxazol-3-yl)methylamino]cyclobutane-1-carboxylic acid
CID 81166855
1-[(pyridin-2-ylmethylcarbamoylamino)methyl]cyclohexane-1-carboxylic acid
CID 115436694
4-[[(3-methyl-1,2-oxazol-5-yl)methylcarbamoylamino]methyl]oxane-4-carboxylic acid
CID 115440478
1-[2-[methyl-[(5-methyl-1,2-oxazol-3-yl)methyl]amino]-2-oxoethyl]cyclohexane-1-carboxylic acid
CID 43588299
1-[[3-(methylamino)propylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid
CID 115436781
1-[[(5-methylpyrazin-2-yl)methylcarbamoylamino]methyl]cyclopropane-1-carboxylic acid
CID 115451594
2-methyl-3-[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]butanoic acid
CID 113416559
1-[[(5-methyl-1,2-oxazole-4-carbonyl)amino]methyl]cycloheptane-1-carboxylic acid
CID 115443407

Frequently Asked Questions

What is the IUPAC name of 1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The IUPAC name of 1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid (CID 115436856) is 1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid.
What is the SMILES notation for 1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The canonical SMILES for 1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is Cc1cc(CNC(=O)NCC2(C(=O)O)CCCCC2)no1.
What is the InChIKey of 1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
The InChIKey is RSFZPSIYZTXPDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-10-7-11(17-21-10)8-15-13(20)16-9-14(12(18)19)5-3-2-4-6-14/h7H,2-6,8-9H2,1H3,(H,18,19)(H2,15,16,20).
What are the key properties of 1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid?
1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.82, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[(5-methyl-1,2-oxazol-3-yl)methylcarbamoylamino]methyl]cyclohexane-1-carboxylic acid is sourced from PubChem (CID 115436856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).