2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride

C17H24Cl2N4O2 — CID 154912007

IUPAC2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)c1coc(CN)n1.Cl.Cl
InChIInChI=1S/C17H22N4O2.2ClH/c1-20(17(22)15-12-23-16(9-18)19-15)10-13-7-8-21(11-13)14-5-3-2-4-6-14;;/h2-6,12-13H,7-11,18H2,1H3;2*1H
InChIKeyNNMHRPYJHPDKLS-UHFFFAOYSA-N
MW387.31 g/mol
LogP2.58
Rot. Bonds5

About 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride

2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride (PubChem CID 154912007) has the molecular formula C17H24Cl2N4O2 and a molecular weight of 387.31 g/mol. Its IUPAC name is 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
PubChem CID154912007
Molecular FormulaC17H24Cl2N4O2
Molecular Weight387.31 g/mol
Exact Mass386.13
IUPAC Name2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride
SMILESCN(CC1CCN(c2ccccc2)C1)C(=O)c1coc(CN)n1.Cl.Cl
InChIInChI=1S/C17H22N4O2.2ClH/c1-20(17(22)15-12-23-16(9-18)19-15)10-13-7-8-21(11-13)14-5-3-2-4-6-14;;/h2-6,12-13H,7-11,18H2,1H3;2*1H
InChIKeyNNMHRPYJHPDKLS-UHFFFAOYSA-N
XLogP2.58
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.31
LogP ≤ 52.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[methyl-[(1-phenylpyrrolidin-3-yl)methyl]amino]-1,3-oxazole-4-carboxylic acid
CID 134701940
2,6-dihydroxy-N-methyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]benzamide
CID 95210396
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-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
N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-5-(pyrazol-1-ylmethyl)furan-2-carboxamide
CID 131937224
N,1-dimethyl-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-3-propan-2-ylpyrazole-5-carboxamide
CID 96578217
2-[(3-methoxyphenoxy)methyl]-N-methyl-N-[(1-methylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56701984
N-(cyclopropylmethyl)-N-methyl-2-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-1,3-oxazole-4-carboxamide
CID 56702419
1-ethyl-N-methyl-3-(2-methylpropyl)-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]pyrazole-5-carboxamide
CID 96574954
N-methyl-7-oxo-N-[[(3S)-1-phenylpyrrolidin-3-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidine-5-carboxamide
CID 97153544

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride?
The IUPAC name of 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride (CID 154912007) is 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride.
What is the SMILES notation for 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride?
The canonical SMILES for 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride is CN(CC1CCN(c2ccccc2)C1)C(=O)c1coc(CN)n1.Cl.Cl.
What is the InChIKey of 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride?
The InChIKey is NNMHRPYJHPDKLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4O2.2ClH/c1-20(17(22)15-12-23-16(9-18)19-15)10-13-7-8-21(11-13)14-5-3-2-4-6-14;;/h2-6,12-13H,7-11,18H2,1H3;2*1H.
What are the key properties of 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride?
2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride has a molecular weight of 387.31 g/mol, XLogP of 2.58, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-methyl-N-[(1-phenylpyrrolidin-3-yl)methyl]-1,3-oxazole-4-carboxamide;dihydrochloride is sourced from PubChem (CID 154912007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).