4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid

C18H21N3O4 — CID 22240743

IUPAC4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid
SMILESCc1cc(NC(=O)CC2(c3ccccc3)CCN(C(=O)O)CC2)no1
InChIInChI=1S/C18H21N3O4/c1-13-11-15(20-25-13)19-16(22)12-18(14-5-3-2-4-6-14)7-9-21(10-8-18)17(23)24/h2-6,11H,7-10,12H2,1H3,(H,23,24)(H,19,20,22)
InChIKeyHLMJLOMXAMWXOE-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.02
Rot. Bonds4

About 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid

4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid (PubChem CID 22240743) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid.

Molecular Properties

Compound Name4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid
PubChem CID22240743
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid
SMILESCc1cc(NC(=O)CC2(c3ccccc3)CCN(C(=O)O)CC2)no1
InChIInChI=1S/C18H21N3O4/c1-13-11-15(20-25-13)19-16(22)12-18(14-5-3-2-4-6-14)7-9-21(10-8-18)17(23)24/h2-6,11H,7-10,12H2,1H3,(H,23,24)(H,19,20,22)
InChIKeyHLMJLOMXAMWXOE-UHFFFAOYSA-N
XLogP3.02
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid with MolForge

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Related Compounds

1-[3-(hydroxymethyl)-3-phenylpyrrolidin-1-yl]-2-(5-methyl-1,2-oxazol-3-yl)ethanone
CID 139010136
2-(2-benzylpyrrolidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 47019562
2-[(2S)-2-benzylpyrrolidin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 32745635
2-(4-benzoylpiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 9223107
1-(4-benzylpiperidine-1-carbonyl)-N-(5-methyl-1,2-oxazol-3-yl)cyclopropane-1-carboxamide
CID 108980011
2-(4-benzylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8904460
2-[methyl-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]amino]-N-phenylacetamide
CID 51282195
4-methyl-1-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]piperidine-4-carboxylic acid
CID 63124886
4-[2-oxo-2-[[4-(trifluoromethyl)phenyl]methylamino]ethyl]-4-phenylpiperidine-1-carboxylic acid
CID 22240549
2-(4-hydroxy-4-methylpiperidin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)-2-phenylacetamide
CID 166218963
2-(4-benzyl-2,3-dioxopiperazin-1-yl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 20932177
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-phenylpiperazin-1-yl)propanamide
CID 707006

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid?
The IUPAC name of 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid (CID 22240743) is 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid.
What is the SMILES notation for 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid?
The canonical SMILES for 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid is Cc1cc(NC(=O)CC2(c3ccccc3)CCN(C(=O)O)CC2)no1.
What is the InChIKey of 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid?
The InChIKey is HLMJLOMXAMWXOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-13-11-15(20-25-13)19-16(22)12-18(14-5-3-2-4-6-14)7-9-21(10-8-18)17(23)24/h2-6,11H,7-10,12H2,1H3,(H,23,24)(H,19,20,22).
What are the key properties of 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid?
4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.02, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxoethyl]-4-phenylpiperidine-1-carboxylic acid is sourced from PubChem (CID 22240743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).