2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid

C19H20N4O4 — CID 146134573

IUPAC2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C19H20N4O4/c24-18(25)16-12-27-19(22-16)21-14-6-8-23(9-7-14)10-15-11-26-17(20-15)13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,21,22)(H,24,25)
InChIKeySYIOQBRXUBJPHC-UHFFFAOYSA-N
MW368.39 g/mol
LogP3.10
Rot. Bonds6

About 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid

2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 146134573) has the molecular formula C19H20N4O4 and a molecular weight of 368.39 g/mol. Its IUPAC name is 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
PubChem CID146134573
Molecular FormulaC19H20N4O4
Molecular Weight368.39 g/mol
Exact Mass368.15
IUPAC Name2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)n1
InChIInChI=1S/C19H20N4O4/c24-18(25)16-12-27-19(22-16)21-14-6-8-23(9-7-14)10-15-11-26-17(20-15)13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,21,22)(H,24,25)
InChIKeySYIOQBRXUBJPHC-UHFFFAOYSA-N
XLogP3.10
TPSA104.63 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.39
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

6-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]pyridine-2-carboxylic acid;2,2,2-trifluoroacetic acid
CID 136575625
N-(1-benzylpiperidin-4-yl)-2-(2-phenyl-1,3-oxazol-4-yl)acetamide
CID 38548867
N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]benzamide
CID 43049757
(3S,4R)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3,4-diol
CID 79411338
1-[[2-(3-chlorophenyl)-1,3-oxazol-4-yl]methyl]-N-methylpiperidin-4-amine
CID 119923250
(3S)-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidin-3-amine;hydrochloride
CID 119933954
4-methyl-1-[(2-phenyl-1,3-oxazol-4-yl)methyl]pyrrolidine-3-carboxylic acid
CID 63720352
(2S)-1-[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]propan-2-ol
CID 95326252
1-[(2-phenyl-1,3-oxazol-4-yl)methyl]triazole-4-carboxylic acid
CID 62059606
1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidine-4-carboxylic acid;hydrochloride
CID 119907388
[4-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperazin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 78857527
tert-butyl N-[1-[[2-(4-methoxyphenyl)-1,3-oxazol-4-yl]methyl]piperidin-4-yl]carbamate
CID 60512700

Frequently Asked Questions

What is the IUPAC name of 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid (CID 146134573) is 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(NC2CCN(Cc3coc(-c4ccccc4)n3)CC2)n1.
What is the InChIKey of 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is SYIOQBRXUBJPHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O4/c24-18(25)16-12-27-19(22-16)21-14-6-8-23(9-7-14)10-15-11-26-17(20-15)13-4-2-1-3-5-13/h1-5,11-12,14H,6-10H2,(H,21,22)(H,24,25).
What are the key properties of 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid?
2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 368.39 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[1-[(2-phenyl-1,3-oxazol-4-yl)methyl]piperidin-4-yl]amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 146134573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).