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

C16H21N3O — CID 60713870

IUPAC1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CNC2CCN(Cc3ccccc3)C2)on1
InChIInChI=1S/C16H21N3O/c1-13-9-16(20-18-13)10-17-15-7-8-19(12-15)11-14-5-3-2-4-6-14/h2-6,9,15,17H,7-8,10-12H2,1H3
InChIKeyQQWWNURFBNGIIW-UHFFFAOYSA-N
MW271.36 g/mol
LogP2.35
Rot. Bonds5

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

1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine (PubChem CID 60713870) has the molecular formula C16H21N3O and a molecular weight of 271.36 g/mol. Its IUPAC name is 1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine.

Molecular Properties

Compound Name1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
PubChem CID60713870
Molecular FormulaC16H21N3O
Molecular Weight271.36 g/mol
Exact Mass271.17
IUPAC Name1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine
SMILESCc1cc(CNC2CCN(Cc3ccccc3)C2)on1
InChIInChI=1S/C16H21N3O/c1-13-9-16(20-18-13)10-17-15-7-8-19(12-15)11-14-5-3-2-4-6-14/h2-6,9,15,17H,7-8,10-12H2,1H3
InChIKeyQQWWNURFBNGIIW-UHFFFAOYSA-N
XLogP2.35
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.36
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-benzyl-N-[(5-iodofuran-2-yl)methyl]pyrrolidin-3-amine
CID 43784616
1-benzyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]pyrrolidin-3-amine
CID 102673140
N-[(3-methyl-1,2-oxazol-5-yl)methyl]cyclopropanamine
CID 60712181
N-(1-benzylpiperidin-3-yl)-4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazine-1-carboxamide
CID 87007645
1-benzyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidin-3-amine
CID 43223648
1-benzyl-N-[(2-methylpyrimidin-4-yl)methyl]pyrrolidin-3-amine
CID 61016801
1-benzyl-N-[(2-ethyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 60982783
1-(1-benzylpiperidin-4-yl)-N-[(3-methyl-1,2-oxazol-5-yl)methyl]piperidine-3-carboxamide
CID 56861008
1-benzyl-N-(thiophen-3-ylmethyl)pyrrolidin-3-amine
CID 43223638
1-benzyl-N-[[2-[(dimethylamino)methyl]phenyl]methyl]pyrrolidin-3-amine
CID 113222195
1-benzyl-N-(1,3-thiazol-2-ylmethyl)pyrrolidin-3-amine
CID 61285826
(3S)-1-benzyl-N-[(4-ethyl-2-methyl-1,3-thiazol-5-yl)methyl]pyrrolidin-3-amine
CID 95221422

Frequently Asked Questions

What is the IUPAC name of 1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine?
The IUPAC name of 1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine (CID 60713870) is 1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine.
What is the SMILES notation for 1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine?
The canonical SMILES for 1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine is Cc1cc(CNC2CCN(Cc3ccccc3)C2)on1.
What is the InChIKey of 1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine?
The InChIKey is QQWWNURFBNGIIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O/c1-13-9-16(20-18-13)10-17-15-7-8-19(12-15)11-14-5-3-2-4-6-14/h2-6,9,15,17H,7-8,10-12H2,1H3.
What are the key properties of 1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine?
1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine has a molecular weight of 271.36 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-N-[(3-methyl-1,2-oxazol-5-yl)methyl]pyrrolidin-3-amine is sourced from PubChem (CID 60713870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).