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

C16H19N3O3 — CID 134701940

IUPAC2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
SMILESCN(CC1CCN(c2ccccc2)C1)c1nc(C(=O)O)co1
InChIInChI=1S/C16H19N3O3/c1-18(16-17-14(11-22-16)15(20)21)9-12-7-8-19(10-12)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,21)
InChIKeyDDJQMCWZESTDDD-UHFFFAOYSA-N
MW301.35 g/mol
LogP2.34
Rot. Bonds5

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

2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid (PubChem CID 134701940) has the molecular formula C16H19N3O3 and a molecular weight of 301.35 g/mol. Its IUPAC name is 2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
PubChem CID134701940
Molecular FormulaC16H19N3O3
Molecular Weight301.35 g/mol
Exact Mass301.14
IUPAC Name2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
SMILESCN(CC1CCN(c2ccccc2)C1)c1nc(C(=O)O)co1
InChIInChI=1S/C16H19N3O3/c1-18(16-17-14(11-22-16)15(20)21)9-12-7-8-19(10-12)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,21)
InChIKeyDDJQMCWZESTDDD-UHFFFAOYSA-N
XLogP2.34
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(1-benzylpiperidin-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 134697080
2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
CID 154912007
2-[(1-tert-butyl-5-oxopyrrolidin-3-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 134711514
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 131937224
4-N,5-dimethyl-4-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrimidine-2,4-diamine
CID 97131518
2-cyano-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]benzamide
CID 70778468
N,4-dimethyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-thiazole-5-carboxamide
CID 70739845
N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 97153544
2-[(4-hydroxyoxan-4-yl)methyl-methylamino]-1,3-oxazole-4-carboxylic acid
CID 114949903
N-methyl-2-(2-methylbenzimidazol-1-yl)-N-[[(3R)-1-phenylpyrrolidin-3-yl]methyl]acetamide
CID 97191208
N,2-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3H-benzimidazole-5-carboxamide
CID 96575921

Frequently Asked Questions

What is the IUPAC name of 2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid (CID 134701940) is 2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid is CN(CC1CCN(c2ccccc2)C1)c1nc(C(=O)O)co1.
What is the InChIKey of 2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is DDJQMCWZESTDDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3/c1-18(16-17-14(11-22-16)15(20)21)9-12-7-8-19(10-12)13-5-3-2-4-6-13/h2-6,11-12H,7-10H2,1H3,(H,20,21).
What are the key properties of 2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid?
2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 301.35 g/mol, XLogP of 2.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 134701940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).