N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine

C19H27N3O — CID 135115058

IUPACN-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CN(C)CC2CCN(c3ccccc3)C2)on1
InChIInChI=1S/C19H27N3O/c1-15(2)19-11-18(23-20-19)14-21(3)12-16-9-10-22(13-16)17-7-5-4-6-8-17/h4-8,11,15-16H,9-10,12-14H2,1-3H3
InChIKeyGBGHHEOSCRZLGY-UHFFFAOYSA-N
MW313.45 g/mol
LogP3.76
Rot. Bonds6

About N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine

N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine (PubChem CID 135115058) has the molecular formula C19H27N3O and a molecular weight of 313.45 g/mol. Its IUPAC name is N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine.

Molecular Properties

Compound NameN-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
PubChem CID135115058
Molecular FormulaC19H27N3O
Molecular Weight313.45 g/mol
Exact Mass313.22
IUPAC NameN-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine
SMILESCC(C)c1cc(CN(C)CC2CCN(c3ccccc3)C2)on1
InChIInChI=1S/C19H27N3O/c1-15(2)19-11-18(23-20-19)14-21(3)12-16-9-10-22(13-16)17-7-5-4-6-8-17/h4-8,11,15-16H,9-10,12-14H2,1-3H3
InChIKeyGBGHHEOSCRZLGY-UHFFFAOYSA-N
XLogP3.76
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.45
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine?
The IUPAC name of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine (CID 135115058) is N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine.
What is the SMILES notation for N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine?
The canonical SMILES for N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine is CC(C)c1cc(CN(C)CC2CCN(c3ccccc3)C2)on1.
What is the InChIKey of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine?
The InChIKey is GBGHHEOSCRZLGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H27N3O/c1-15(2)19-11-18(23-20-19)14-21(3)12-16-9-10-22(13-16)17-7-5-4-6-8-17/h4-8,11,15-16H,9-10,12-14H2,1-3H3.
What are the key properties of N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine?
N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine has a molecular weight of 313.45 g/mol, XLogP of 3.76, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(1-phenylpyrrolidin-3-yl)-N-[(3-propan-2-yl-1,2-oxazol-5-yl)methyl]methanamine is sourced from PubChem (CID 135115058), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).