2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid

C15H22N2O4 — CID 106370228

IUPAC2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1nc(CNC(=O)CC2(CC(=O)O)CCCC2)oc1C
InChIInChI=1S/C15H22N2O4/c1-10-11(2)21-13(17-10)9-16-12(18)7-15(8-14(19)20)5-3-4-6-15/h3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyXRXRZOCUMYFEQR-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.33
Rot. Bonds6

About 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid

2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (PubChem CID 106370228) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.

Molecular Properties

Compound Name2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
PubChem CID106370228
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
SMILESCc1nc(CNC(=O)CC2(CC(=O)O)CCCC2)oc1C
InChIInChI=1S/C15H22N2O4/c1-10-11(2)21-13(17-10)9-16-12(18)7-15(8-14(19)20)5-3-4-6-15/h3-9H2,1-2H3,(H,16,18)(H,19,20)
InChIKeyXRXRZOCUMYFEQR-UHFFFAOYSA-N
XLogP2.33
TPSA92.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-6-oxohexanoic acid
CID 106370238
2-[[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoylamino]acetyl]amino]acetic acid
CID 106374923
5-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-3,3-dimethyl-5-oxopentanoic acid
CID 106703129
[1-[[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]methyl]cyclohexyl]methanol
CID 103966545
1-carbamothioyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]cyclopentane-1-carboxamide
CID 106372330
1-tert-butyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]urea
CID 103752681
2-[1-[2-oxo-2-(1,3-thiazol-4-ylmethylamino)ethyl]cyclohexyl]acetic acid
CID 62198087
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(N'-hydroxycarbamimidoyl)cyclopentane-1-carboxamide
CID 106375738
2-[1-[2-[(3-methyl-4-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114698483
2-[1-[2-[(4-methyl-3-pyridinyl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid
CID 114954620
2-[1-[2-[[2-(ethylamino)-2-oxoethyl]amino]-2-oxoethyl]cyclopentyl]acetic acid
CID 61071861
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methylcarbamoyl]-2-methylpyrrolidine-2-carboxylic acid
CID 106374874

Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The IUPAC name of 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid (CID 106370228) is 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid.
What is the SMILES notation for 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The canonical SMILES for 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is Cc1nc(CNC(=O)CC2(CC(=O)O)CCCC2)oc1C.
What is the InChIKey of 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
The InChIKey is XRXRZOCUMYFEQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-10-11(2)21-13(17-10)9-16-12(18)7-15(8-14(19)20)5-3-4-6-15/h3-9H2,1-2H3,(H,16,18)(H,19,20).
What are the key properties of 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid?
2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid has a molecular weight of 294.35 g/mol, XLogP of 2.33, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]-2-oxoethyl]cyclopentyl]acetic acid is sourced from PubChem (CID 106370228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).