2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid

C14H21N3O4 — CID 106374336

IUPAC2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)NC2CCCC2(C)C(=O)O)o1
InChIInChI=1S/C14H21N3O4/c1-3-9-7-15-11(21-9)8-16-13(20)17-10-5-4-6-14(10,2)12(18)19/h7,10H,3-6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyQGHNEMTYFAIHOS-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.68
Rot. Bonds5

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

2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (PubChem CID 106374336) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.

Molecular Properties

Compound Name2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
PubChem CID106374336
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
SMILESCCc1cnc(CNC(=O)NC2CCCC2(C)C(=O)O)o1
InChIInChI=1S/C14H21N3O4/c1-3-9-7-15-11(21-9)8-16-13(20)17-10-5-4-6-14(10,2)12(18)19/h7,10H,3-6,8H2,1-2H3,(H,18,19)(H2,16,17,20)
InChIKeyQGHNEMTYFAIHOS-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-2-[(2-methylpyrazol-3-yl)methylcarbamoylamino]cyclopentane-1-carboxylic acid
CID 82765849
1-amino-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-3-methylcyclohexane-1-carboxamide
CID 106370912
cis-(1S,2R)-2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370141
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoyl]cyclopentane-1-carboxylic acid
CID 106370130
2-[(5-chlorothiophen-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 82763712
1-[2-(hydroxymethyl)-2-methylcyclopentyl]-3-[(5-phenyl-1,3-oxazol-2-yl)methyl]urea
CID 111504918
2-(2-acetamidoethylcarbamoylamino)-1-methylcyclopentane-1-carboxylic acid
CID 82762512
1-methyl-2-(2-methylbutylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 82765071
2-[[1-(dimethylamino)cyclobutyl]methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid
CID 105419635
N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-methylpiperidine-2-carboxamide
CID 106370884
1-methyl-2-(3-methylbut-2-enylcarbamoylamino)cyclopentane-1-carboxylic acid
CID 106191575
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]butanoic acid
CID 106374246

Frequently Asked Questions

What is the IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The IUPAC name of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid (CID 106374336) is 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid.
What is the SMILES notation for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The canonical SMILES for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is CCc1cnc(CNC(=O)NC2CCCC2(C)C(=O)O)o1.
What is the InChIKey of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
The InChIKey is QGHNEMTYFAIHOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-3-9-7-15-11(21-9)8-16-13(20)17-10-5-4-6-14(10,2)12(18)19/h7,10H,3-6,8H2,1-2H3,(H,18,19)(H2,16,17,20).
What are the key properties of 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid?
2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid has a molecular weight of 295.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-ethyl-1,3-oxazol-2-yl)methylcarbamoylamino]-1-methylcyclopentane-1-carboxylic acid is sourced from PubChem (CID 106374336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).