2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid

C14H21N3O4 — CID 106389432

IUPAC2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCc1cnc(C(C)NC(=O)N2CCCC(CC(=O)O)C2)o1
InChIInChI=1S/C14H21N3O4/c1-9-7-15-13(21-9)10(2)16-14(20)17-5-3-4-11(8-17)6-12(18)19/h7,10-11H,3-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUOKYGTHPTRJVJN-UHFFFAOYSA-N
MW295.34 g/mol
LogP1.94
Rot. Bonds4

About 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid

2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid (PubChem CID 106389432) has the molecular formula C14H21N3O4 and a molecular weight of 295.34 g/mol. Its IUPAC name is 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid
PubChem CID106389432
Molecular FormulaC14H21N3O4
Molecular Weight295.34 g/mol
Exact Mass295.15
IUPAC Name2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid
SMILESCc1cnc(C(C)NC(=O)N2CCCC(CC(=O)O)C2)o1
InChIInChI=1S/C14H21N3O4/c1-9-7-15-13(21-9)10(2)16-14(20)17-5-3-4-11(8-17)6-12(18)19/h7,10-11H,3-6,8H2,1-2H3,(H,16,20)(H,18,19)
InChIKeyUOKYGTHPTRJVJN-UHFFFAOYSA-N
XLogP1.94
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.34
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-(1-cyclopropylethylcarbamoyl)piperidin-3-yl]acetic acid
CID 62691352
2-[1-(pentan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690824
2-[1-(1-methylsulfanylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 113472935
1-cyclobutyl-3-[1-(5-methyl-1,3-oxazol-2-yl)ethyl]urea
CID 103947062
2-[1-(1-thiophen-2-ylpropan-2-ylcarbamoyl)piperidin-3-yl]acetic acid
CID 63292234
2-[1-(5-methylfuran-2-carbonyl)piperidin-3-yl]acetic acid
CID 62689560
2-[1-[2-(cyclopropylmethylamino)acetyl]piperidin-3-yl]acetic acid
CID 62689796
3-[1-[1-(1H-1,2,4-triazol-5-yl)ethylcarbamoyl]piperidin-3-yl]propanoic acid
CID 106283258
2-[1-(cyclohexylcarbamoyl)piperidin-3-yl]acetic acid
CID 62690079
N-[1-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-3-(hydroxymethyl)piperidine-1-carboxamide
CID 111174169
2-[1-[(4-methylcyclohexyl)methylcarbamoyl]piperidin-3-yl]acetic acid
CID 63244628
2-[carboxymethyl-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]amino]acetic acid
CID 106389320

Frequently Asked Questions

What is the IUPAC name of 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid?
The IUPAC name of 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid (CID 106389432) is 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid.
What is the SMILES notation for 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid?
The canonical SMILES for 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid is Cc1cnc(C(C)NC(=O)N2CCCC(CC(=O)O)C2)o1.
What is the InChIKey of 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid?
The InChIKey is UOKYGTHPTRJVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O4/c1-9-7-15-13(21-9)10(2)16-14(20)17-5-3-4-11(8-17)6-12(18)19/h7,10-11H,3-6,8H2,1-2H3,(H,16,20)(H,18,19).
What are the key properties of 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid?
2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid has a molecular weight of 295.34 g/mol, XLogP of 1.94, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[1-(5-methyl-1,3-oxazol-2-yl)ethylcarbamoyl]piperidin-3-yl]acetic acid is sourced from PubChem (CID 106389432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).