1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid

C18H21N3O4 — CID 122004638

IUPAC1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2nc(CNC(=O)N3CCCC(C(=O)O)C3)co2)cc1
InChIInChI=1S/C18H21N3O4/c1-12-4-6-13(7-5-12)16-20-15(11-25-16)9-19-18(24)21-8-2-3-14(10-21)17(22)23/h4-7,11,14H,2-3,8-10H2,1H3,(H,19,24)(H,22,23)
InChIKeyDXDDPJCYKOEIMI-UHFFFAOYSA-N
MW343.38 g/mol
LogP2.66
Rot. Bonds4

About 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid

1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 122004638) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID122004638
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCc1ccc(-c2nc(CNC(=O)N3CCCC(C(=O)O)C3)co2)cc1
InChIInChI=1S/C18H21N3O4/c1-12-4-6-13(7-5-12)16-20-15(11-25-16)9-19-18(24)21-8-2-3-14(10-21)17(22)23/h4-7,11,14H,2-3,8-10H2,1H3,(H,19,24)(H,22,23)
InChIKeyDXDDPJCYKOEIMI-UHFFFAOYSA-N
XLogP2.66
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 ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(4-methylphenyl)-1,3-oxazol-4-yl]ethylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122000012
3-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122004642
1-[(5-methylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 62056913
1-[(2-phenyl-1,3-oxazol-4-yl)methylsulfamoyl]piperidine-3-carboxylic acid
CID 131949814
(3R)-1-[(4-methyl-1,3-thiazol-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81120311
2-methyl-1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-3-[[4-(piperidine-1-carbonyl)phenyl]methyl]guanidine;hydroiodide
CID 111590562
N'-methyl-N-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]-1,3,3a,4,5,6,7,7a-octahydroisoindole-2-carboximidamide
CID 109441581
(3S)-1-[(4,5-dimethylthiophen-2-yl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 81123402
1-[(4-methyl-2-methylsulfanylphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122006136
1-[2-(hydroxymethyl)cyclohexyl]-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methyl]urea
CID 111631266
cis-(1S,3R)-2,2-dimethyl-3-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]cyclopropane-1-carboxylic acid
CID 122065712
(3R)-1-[4-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]benzoyl]piperidine-3-carboxylic acid
CID 124697990

Frequently Asked Questions

What is the IUPAC name of 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid (CID 122004638) is 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid is Cc1ccc(-c2nc(CNC(=O)N3CCCC(C(=O)O)C3)co2)cc1.
What is the InChIKey of 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is DXDDPJCYKOEIMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-12-4-6-13(7-5-12)16-20-15(11-25-16)9-19-18(24)21-8-2-3-14(10-21)17(22)23/h4-7,11,14H,2-3,8-10H2,1H3,(H,19,24)(H,22,23).
What are the key properties of 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid?
1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-(4-methylphenyl)-1,3-oxazol-4-yl]methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122004638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).