2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

C12H17N3O4 — CID 106421097

IUPAC2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccno1)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H17N3O4/c16-11(17)9-3-1-2-4-10(9)15-12(18)13-7-8-5-6-14-19-8/h5-6,9-10H,1-4,7H2,(H,16,17)(H2,13,15,18)
InChIKeyHMGZIFQSFNXVDL-UHFFFAOYSA-N
MW267.28 g/mol
LogP1.12
Rot. Bonds4

About 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid

2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (PubChem CID 106421097) has the molecular formula C12H17N3O4 and a molecular weight of 267.28 g/mol. Its IUPAC name is 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.

Molecular Properties

Compound Name2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
PubChem CID106421097
Molecular FormulaC12H17N3O4
Molecular Weight267.28 g/mol
Exact Mass267.12
IUPAC Name2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid
SMILESO=C(NCc1ccno1)NC1CCCCC1C(=O)O
InChIInChI=1S/C12H17N3O4/c16-11(17)9-3-1-2-4-10(9)15-12(18)13-7-8-5-6-14-19-8/h5-6,9-10H,1-4,7H2,(H,16,17)(H2,13,15,18)
InChIKeyHMGZIFQSFNXVDL-UHFFFAOYSA-N
XLogP1.12
TPSA104.46 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 51.12
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-cyclohexyl-3-(1,2-oxazol-5-ylmethyl)urea
CID 106415590
2-(1,2-oxazol-5-ylmethylcarbamoyl)cyclopentane-1-carboxylic acid
CID 106414778
2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64815607
2-[(5-ethylthiophen-2-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 106005548
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 79234307
2-(thiophen-3-ylmethylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 64816561
2-[(2-fluorophenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64818051
2-[(2-bromophenyl)methylcarbamoylamino]cyclohexane-1-carboxylic acid
CID 64817497
2-[(4-methylphenyl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817088
2-[cyclopentyl(1,2-oxazol-5-ylmethylcarbamoyl)amino]acetic acid
CID 106421064
2-[(5-bromothiophen-2-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 64817149
2-[(1-methylpyrazol-3-yl)methylcarbamoylamino]cycloheptane-1-carboxylic acid
CID 82873513

Frequently Asked Questions

What is the IUPAC name of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The IUPAC name of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid (CID 106421097) is 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid.
What is the SMILES notation for 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The canonical SMILES for 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is O=C(NCc1ccno1)NC1CCCCC1C(=O)O.
What is the InChIKey of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
The InChIKey is HMGZIFQSFNXVDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O4/c16-11(17)9-3-1-2-4-10(9)15-12(18)13-7-8-5-6-14-19-8/h5-6,9-10H,1-4,7H2,(H,16,17)(H2,13,15,18).
What are the key properties of 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid?
2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 1.12, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,2-oxazol-5-ylmethylcarbamoylamino)cyclohexane-1-carboxylic acid is sourced from PubChem (CID 106421097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).