(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine

C14H19N3O — CID 97066858

IUPAC(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
SMILESCc1nc(CN(C)[C@@H](C)c2ccccn2)oc1C
InChIInChI=1S/C14H19N3O/c1-10-12(3)18-14(16-10)9-17(4)11(2)13-7-5-6-8-15-13/h5-8,11H,9H2,1-4H3/t11-/m0/s1
InChIKeyHLFKDPAJHWACDL-NSHDSACASA-N
MW245.33 g/mol
LogP2.88
Rot. Bonds4

About (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine

(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine (PubChem CID 97066858) has the molecular formula C14H19N3O and a molecular weight of 245.33 g/mol. Its IUPAC name is (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
PubChem CID97066858
Molecular FormulaC14H19N3O
Molecular Weight245.33 g/mol
Exact Mass245.15
IUPAC Name(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine
SMILESCc1nc(CN(C)[C@@H](C)c2ccccn2)oc1C
InChIInChI=1S/C14H19N3O/c1-10-12(3)18-14(16-10)9-17(4)11(2)13-7-5-6-8-15-13/h5-8,11H,9H2,1-4H3/t11-/m0/s1
InChIKeyHLFKDPAJHWACDL-NSHDSACASA-N
XLogP2.88
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.33
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine (CID 97066858) is (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine is Cc1nc(CN(C)[C@@H](C)c2ccccn2)oc1C.
What is the InChIKey of (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine?
The InChIKey is HLFKDPAJHWACDL-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O/c1-10-12(3)18-14(16-10)9-17(4)11(2)13-7-5-6-8-15-13/h5-8,11H,9H2,1-4H3/t11-/m0/s1.
What are the key properties of (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine?
(1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine has a molecular weight of 245.33 g/mol, XLogP of 2.88, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-N-methyl-1-pyridin-2-ylethanamine is sourced from PubChem (CID 97066858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).