1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

C17H23N3O — CID 102673140

IUPAC1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CNC2CCN(Cc3ccccc3)C2)oc1C
InChIInChI=1S/C17H23N3O/c1-13-14(2)21-17(19-13)10-18-16-8-9-20(12-16)11-15-6-4-3-5-7-15/h3-7,16,18H,8-12H2,1-2H3
InChIKeyWVDFIBICFDVCPO-UHFFFAOYSA-N
MW285.39 g/mol
LogP2.66
Rot. Bonds5

About 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine

1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (PubChem CID 102673140) has the molecular formula C17H23N3O and a molecular weight of 285.39 g/mol. Its IUPAC name is 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
PubChem CID102673140
Molecular FormulaC17H23N3O
Molecular Weight285.39 g/mol
Exact Mass285.18
IUPAC Name1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
SMILESCc1nc(CNC2CCN(Cc3ccccc3)C2)oc1C
InChIInChI=1S/C17H23N3O/c1-13-14(2)21-17(19-13)10-18-16-8-9-20(12-16)11-15-6-4-3-5-7-15/h3-7,16,18H,8-12H2,1-2H3
InChIKeyWVDFIBICFDVCPO-UHFFFAOYSA-N
XLogP2.66
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-Pentan-3-yl-5-(1-phenylethylamino)-1,3-oxazole-4-carbonitrile
CID 4700369
[(1R)-1-[[(2R)-2-[(2,4-dimethyl-1,3-oxazole-5-carbonyl)amino]pentanoyl]amino]-4-phenylbutyl]boronic acid
CID 164621522
US8853212, DDP-4 Inhibitor 17
CID 68268703
2-Methyl-5-(4-methyl-benzylamino)-oxazole-4-carbonitrile
CID 696146
5-(Benzylamino)-2-pentan-3-yl-1,3-oxazole-4-carbonitrile
CID 829866
N-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1,1-dioxothiolan-3-amine
CID 47524869
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-(4-phenylpiperazin-1-yl)propanamide
CID 71984489
1-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(3-methylphenyl)piperidin-4-amine
CID 72001424
1-Benzyl-3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-1-(2-hydroxy-2-methylpropyl)urea
CID 84599130
N-benzyl-2-(methoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
CID 97520322
N-benzyl-2-(cyclopropylmethoxymethyl)-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
CID 97520327
2-[(dimethylamino)methyl]-N-[(3-fluorophenyl)methyl]-4,6-dihydropyrrolo[3,4-d][1,3]oxazole-5-carboxamide
CID 97520330

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine (CID 102673140) is 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is Cc1nc(CNC2CCN(Cc3ccccc3)C2)oc1C.
What is the InChIKey of 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
The InChIKey is WVDFIBICFDVCPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O/c1-13-14(2)21-17(19-13)10-18-16-8-9-20(12-16)11-15-6-4-3-5-7-15/h3-7,16,18H,8-12H2,1-2H3.
What are the key properties of 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine has a molecular weight of 285.39 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 102673140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).