ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid

C18H26N2O5 — CID 143320222

IUPACethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid
SMILESCC.CC(C)(C)OC(=O)N1CCC(C#Cc2nc(C(=O)O)co2)CC1
InChIInChI=1S/C16H20N2O5.C2H6/c1-16(2,3)23-15(21)18-8-6-11(7-9-18)4-5-13-17-12(10-22-13)14(19)20;1-2/h10-11H,6-9H2,1-3H3,(H,19,20);1-2H3
InChIKeyAMUUKDQLWRVTPG-UHFFFAOYSA-N
MW350.42 g/mol
LogP3.40
Rot. Bonds1

About ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid

ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 143320222) has the molecular formula C18H26N2O5 and a molecular weight of 350.42 g/mol. Its IUPAC name is ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Nameethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid
PubChem CID143320222
Molecular FormulaC18H26N2O5
Molecular Weight350.42 g/mol
Exact Mass350.18
IUPAC Nameethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid
SMILESCC.CC(C)(C)OC(=O)N1CCC(C#Cc2nc(C(=O)O)co2)CC1
InChIInChI=1S/C16H20N2O5.C2H6/c1-16(2,3)23-15(21)18-8-6-11(7-9-18)4-5-13-17-12(10-22-13)14(19)20;1-2/h10-11H,6-9H2,1-3H3,(H,19,20);1-2H3
InChIKeyAMUUKDQLWRVTPG-UHFFFAOYSA-N
XLogP3.40
TPSA92.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.42
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl 4-[2-(5-bromo-2-pyridinyl)ethynyl]piperidine-1-carboxylate
CID 176816721
tert-butyl 4-[2-(6-amino-3-pyridinyl)ethynyl]piperidine-1-carboxylate
CID 169087118
2-[[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]methyl]-1,3-oxazole-4-carboxylic acid
CID 178131740
tert-butyl 4-[2-(3-amino-6-chloropyrazin-2-yl)ethynyl]piperidine-1-carboxylate
CID 166104382
tert-butyl 4-(3-oxobut-1-ynyl)piperidine-1-carboxylate
CID 11572376
methyl 2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]-1,3-oxazole-4-carboxylate
CID 67460578
tert-butyl 4-[2-[4-chloro-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-pyridinyl]ethynyl]piperidine-1-carboxylate
CID 90408676
tert-butyl 4-[2-[5-(1-methylindazol-6-yl)-1,3-thiazol-2-yl]ethynyl]piperidine-1-carboxylate
CID 168926669
tert-butyl 4-(2-benzofuran-1-carbonyl)piperidine-1-carboxylate
CID 141001592
tert-butyl 4-[2-(aminomethyl)-1,3-oxazol-4-yl]piperidine-1-carboxylate
CID 115051757
4-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]pyridine-2-carboxylic acid
CID 74788423
1-[1-[5-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]naphthalen-1-yl]ethyl]piperidine-4-carboxylic acid
CID 163259652

Frequently Asked Questions

What is the IUPAC name of ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid (CID 143320222) is ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid is CC.CC(C)(C)OC(=O)N1CCC(C#Cc2nc(C(=O)O)co2)CC1.
What is the InChIKey of ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is AMUUKDQLWRVTPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O5.C2H6/c1-16(2,3)23-15(21)18-8-6-11(7-9-18)4-5-13-17-12(10-22-13)14(19)20;1-2/h10-11H,6-9H2,1-3H3,(H,19,20);1-2H3.
What are the key properties of ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid?
ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 350.42 g/mol, XLogP of 3.40, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;2-[2-[1-[(2-methylpropan-2-yl)oxycarbonyl]piperidin-4-yl]ethynyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 143320222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).