1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

C18H21N3O4 — CID 122087034

IUPAC1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1coc(-c2cc(NC(=O)N3CCCC(C(=O)O)C3)ccc2C)n1
InChIInChI=1S/C18H21N3O4/c1-11-5-6-14(8-15(11)16-19-12(2)10-25-16)20-18(24)21-7-3-4-13(9-21)17(22)23/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyFCHXBVIMDWIKAK-UHFFFAOYSA-N
MW343.38 g/mol
LogP3.29
Rot. Bonds3

About 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid

1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (PubChem CID 122087034) has the molecular formula C18H21N3O4 and a molecular weight of 343.38 g/mol. Its IUPAC name is 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
PubChem CID122087034
Molecular FormulaC18H21N3O4
Molecular Weight343.38 g/mol
Exact Mass343.15
IUPAC Name1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
SMILESCc1coc(-c2cc(NC(=O)N3CCCC(C(=O)O)C3)ccc2C)n1
InChIInChI=1S/C18H21N3O4/c1-11-5-6-14(8-15(11)16-19-12(2)10-25-16)20-18(24)21-7-3-4-13(9-21)17(22)23/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,20,24)(H,22,23)
InChIKeyFCHXBVIMDWIKAK-UHFFFAOYSA-N
XLogP3.29
TPSA95.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.38
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide
CID 176940437
(2R,6S)-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-4-azatricyclo[5.2.1.02,6]dec-8-ene-4-carboxamide
CID 128617710
(2S)-2-ethyl-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-1-carboxamide;molecular hydrogen
CID 176940436
2-hydroxy-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 110016334
1-[(2-methyl-4-pyridinyl)carbamoyl]piperidine-3-carboxylic acid
CID 122088415
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,9-diazabicyclo[4.2.1]nonane-9-carboxamide
CID 128753344
1-[(4-methyl-3-propan-2-yloxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 122091780
5-methyl-1-[[4-methyl-3-(1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid
CID 122102599
1-[(4-bromo-3-methoxyphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 82861069
N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]pyrrolidine-3-carboxamide;hydrochloride
CID 119818830
3-amino-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]cyclopentane-1-carboxamide
CID 119818797
7-fluoro-N-[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]-3,5-dihydro-2H-1,4-benzoxazepine-4-carboxamide
CID 176940660

Frequently Asked Questions

What is the IUPAC name of 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid (CID 122087034) is 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is Cc1coc(-c2cc(NC(=O)N3CCCC(C(=O)O)C3)ccc2C)n1.
What is the InChIKey of 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
The InChIKey is FCHXBVIMDWIKAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4/c1-11-5-6-14(8-15(11)16-19-12(2)10-25-16)20-18(24)21-7-3-4-13(9-21)17(22)23/h5-6,8,10,13H,3-4,7,9H2,1-2H3,(H,20,24)(H,22,23).
What are the key properties of 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid?
1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid has a molecular weight of 343.38 g/mol, XLogP of 3.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-methyl-3-(4-methyl-1,3-oxazol-2-yl)phenyl]carbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 122087034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).