4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid

C15H22N2O4 — CID 114421398

IUPAC4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1noc(C(C)C)c1C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-8(2)13-12(10(4)16-21-13)14(18)17-6-5-9(3)7-11(17)15(19)20/h8-9,11H,5-7H2,1-4H3,(H,19,20)
InChIKeyDMZRVCZVRDWDPM-UHFFFAOYSA-N
MW294.35 g/mol
LogP2.43
Rot. Bonds3

About 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid

4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid (PubChem CID 114421398) has the molecular formula C15H22N2O4 and a molecular weight of 294.35 g/mol. Its IUPAC name is 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid
PubChem CID114421398
Molecular FormulaC15H22N2O4
Molecular Weight294.35 g/mol
Exact Mass294.16
IUPAC Name4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid
SMILESCc1noc(C(C)C)c1C(=O)N1CCC(C)CC1C(=O)O
InChIInChI=1S/C15H22N2O4/c1-8(2)13-12(10(4)16-21-13)14(18)17-6-5-9(3)7-11(17)15(19)20/h8-9,11H,5-7H2,1-4H3,(H,19,20)
InChIKeyDMZRVCZVRDWDPM-UHFFFAOYSA-N
XLogP2.43
TPSA83.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.35
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421096
[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]-morpholin-4-ylmethanone
CID 110625802
4-methyl-1-(2,4,6-trimethylbenzoyl)piperidine-2-carboxylic acid
CID 114421816
(2,6-dimethylpiperidin-1-yl)-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 110675292
(2R)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)pyrrolidine-2-carboxylic acid
CID 28777862
(2S,4S)-1-(3,5-dimethyl-1,2-oxazole-4-carbonyl)-4-hydroxypyrrolidine-2-carboxylic acid
CID 28778304
2-ethyl-3-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)-1,3-thiazolidine-4-carboxylic acid
CID 63793055
(4-methoxy-3-methylphenyl)-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)pyrrolidin-2-yl]methanone
CID 110607720
[3-(hydroxymethyl)piperidin-1-yl]-(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)methanone
CID 43403556
(3-methyl-5-propan-2-yl-1,2-oxazol-4-yl)-[(2S)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 95352842
1-(4-chloro-1-propan-2-ylpyrrole-2-carbonyl)-4-methylpiperidine-2-carboxylic acid
CID 114421311
N-[1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidin-4-yl]benzamide
CID 18131785

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
The IUPAC name of 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid (CID 114421398) is 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
The canonical SMILES for 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid is Cc1noc(C(C)C)c1C(=O)N1CCC(C)CC1C(=O)O.
What is the InChIKey of 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
The InChIKey is DMZRVCZVRDWDPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O4/c1-8(2)13-12(10(4)16-21-13)14(18)17-6-5-9(3)7-11(17)15(19)20/h8-9,11H,5-7H2,1-4H3,(H,19,20).
What are the key properties of 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid?
4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid has a molecular weight of 294.35 g/mol, XLogP of 2.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(3-methyl-5-propan-2-yl-1,2-oxazole-4-carbonyl)piperidine-2-carboxylic acid is sourced from PubChem (CID 114421398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).