5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one

C13H23N3O2 — CID 106616432

IUPAC5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN(CC2CC2)CC2CCCN2)O1
InChIInChI=1S/C13H23N3O2/c17-13-15-6-12(18-13)9-16(7-10-3-4-10)8-11-2-1-5-14-11/h10-12,14H,1-9H2,(H,15,17)
InChIKeyXXFLZJSRWZYNED-UHFFFAOYSA-N
MW253.35 g/mol
LogP0.56
Rot. Bonds6

About 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one

5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one (PubChem CID 106616432) has the molecular formula C13H23N3O2 and a molecular weight of 253.35 g/mol. Its IUPAC name is 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one
PubChem CID106616432
Molecular FormulaC13H23N3O2
Molecular Weight253.35 g/mol
Exact Mass253.18
IUPAC Name5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one
SMILESO=C1NCC(CN(CC2CC2)CC2CCCN2)O1
InChIInChI=1S/C13H23N3O2/c17-13-15-6-12(18-13)9-16(7-10-3-4-10)8-11-2-1-5-14-11/h10-12,14H,1-9H2,(H,15,17)
InChIKeyXXFLZJSRWZYNED-UHFFFAOYSA-N
XLogP0.56
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.35
LogP ≤ 50.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(cyclopropylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 63955583
2-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-5-hydroxypyran-4-one
CID 106616373
3-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]propanamide
CID 106616433
1-cyclopropyl-N-[(2-ethylphenyl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604438
1-cyclopropyl-N-(pyrrolidin-2-ylmethyl)-N-(1,3-thiazol-2-ylmethyl)methanamine
CID 106604608
1-[3-[[bis(piperidin-2-ylmethyl)amino]methyl]cyclohexyl]-N,N-bis(piperidin-2-ylmethyl)methanamine
CID 5242008
1-cyclopropyl-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106616386
2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]-N-(5-methyl-1,3,4-oxadiazol-2-yl)acetamide
CID 106616264
1-cyclopropyl-N-[(2-ethylpyrazol-3-yl)methyl]-N-(pyrrolidin-2-ylmethyl)methanamine
CID 106604456
N-cyclopentyl-2-[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]acetamide
CID 106616532
N-(cyclopentylmethyl)-N-(piperidin-2-ylmethyl)ethanamine
CID 106622509
2-[ethyl-[(2-oxo-1,3-oxazolidin-5-yl)methyl]amino]acetic acid
CID 61011469

Frequently Asked Questions

What is the IUPAC name of 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one?
The IUPAC name of 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one (CID 106616432) is 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one is O=C1NCC(CN(CC2CC2)CC2CCCN2)O1.
What is the InChIKey of 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one?
The InChIKey is XXFLZJSRWZYNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O2/c17-13-15-6-12(18-13)9-16(7-10-3-4-10)8-11-2-1-5-14-11/h10-12,14H,1-9H2,(H,15,17).
What are the key properties of 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one?
5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one has a molecular weight of 253.35 g/mol, XLogP of 0.56, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[cyclopropylmethyl(pyrrolidin-2-ylmethyl)amino]methyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 106616432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).