[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine

C12H21N3O — CID 115082349

IUPAC[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
SMILESCC(C)N1CCC(Cc2nc(CN)co2)C1
InChIInChI=1S/C12H21N3O/c1-9(2)15-4-3-10(7-15)5-12-14-11(6-13)8-16-12/h8-10H,3-7,13H2,1-2H3
InChIKeySRHWZHLMBDWGKF-UHFFFAOYSA-N
MW223.32 g/mol
LogP1.41
Rot. Bonds4

About [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine

[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine (PubChem CID 115082349) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine.

Molecular Properties

Compound Name[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
PubChem CID115082349
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine
SMILESCC(C)N1CCC(Cc2nc(CN)co2)C1
InChIInChI=1S/C12H21N3O/c1-9(2)15-4-3-10(7-15)5-12-14-11(6-13)8-16-12/h8-10H,3-7,13H2,1-2H3
InChIKeySRHWZHLMBDWGKF-UHFFFAOYSA-N
XLogP1.41
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanamine
CID 115082387
2-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]ethanol
CID 115082307
N-methyl-1-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]propan-2-amine
CID 115083475
2-[2-[(1-propan-2-ylpiperidin-3-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115083403
2-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]acetaldehyde
CID 115082481
[2-[(1-ethylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]methanamine
CID 115082508
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]propan-2-one
CID 115082483
1-[2-[(1-propan-2-ylpiperidin-4-yl)methyl]-1,3-oxazol-4-yl]ethanone
CID 115082455
2-[3-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazol-5-yl]ethanamine
CID 115081310
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]imidazo[1,2-a]pyridin-5-amine
CID 117131424
3-[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-thiazol-4-yl]propan-1-amine
CID 115088031
2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-7-amine
CID 117156517

Frequently Asked Questions

What is the IUPAC name of [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine?
The IUPAC name of [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine (CID 115082349) is [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine.
What is the SMILES notation for [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine?
The canonical SMILES for [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine is CC(C)N1CCC(Cc2nc(CN)co2)C1.
What is the InChIKey of [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine?
The InChIKey is SRHWZHLMBDWGKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-9(2)15-4-3-10(7-15)5-12-14-11(6-13)8-16-12/h8-10H,3-7,13H2,1-2H3.
What are the key properties of [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine?
[2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine has a molecular weight of 223.32 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[(1-propan-2-ylpyrrolidin-3-yl)methyl]-1,3-oxazol-4-yl]methanamine is sourced from PubChem (CID 115082349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).