(1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

C19H19N5O — CID 95221931

IUPAC(1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESC[C@@H](c1ccon1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C19H19N5O/c1-14(18-8-9-25-22-18)23(2)12-15-10-20-19-17(11-21-24(19)13-15)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3/t14-/m0/s1
InChIKeyDVVQBPDJEFOZPL-AWEZNQCLSA-N
MW333.40 g/mol
LogP3.58
Rot. Bonds5

About (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine

(1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (PubChem CID 95221931) has the molecular formula C19H19N5O and a molecular weight of 333.40 g/mol. Its IUPAC name is (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.

Molecular Properties

Compound Name(1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
PubChem CID95221931
Molecular FormulaC19H19N5O
Molecular Weight333.40 g/mol
Exact Mass333.16
IUPAC Name(1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine
SMILESC[C@@H](c1ccon1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1
InChIInChI=1S/C19H19N5O/c1-14(18-8-9-25-22-18)23(2)12-15-10-20-19-17(11-21-24(19)13-15)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3/t14-/m0/s1
InChIKeyDVVQBPDJEFOZPL-AWEZNQCLSA-N
XLogP3.58
TPSA59.46 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.40
LogP ≤ 53.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The IUPAC name of (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine (CID 95221931) is (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine.
What is the SMILES notation for (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The canonical SMILES for (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is C[C@@H](c1ccon1)N(C)Cc1cnc2c(-c3ccccc3)cnn2c1.
What is the InChIKey of (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
The InChIKey is DVVQBPDJEFOZPL-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H19N5O/c1-14(18-8-9-25-22-18)23(2)12-15-10-20-19-17(11-21-24(19)13-15)16-6-4-3-5-7-16/h3-11,13-14H,12H2,1-2H3/t14-/m0/s1.
What are the key properties of (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine?
(1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine has a molecular weight of 333.40 g/mol, XLogP of 3.58, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-methyl-1-(1,2-oxazol-3-yl)-N-[(3-phenylpyrazolo[1,5-a]pyrimidin-6-yl)methyl]ethanamine is sourced from PubChem (CID 95221931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).