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

C19H21N3O — CID 97334733

IUPAC(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
SMILESCc1noc(C)c1CN[C@@H](C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C19H21N3O/c1-13(21-12-19-14(2)22-23-15(19)3)16-6-8-17(9-7-16)18-5-4-10-20-11-18/h4-11,13,21H,12H2,1-3H3/t13-/m0/s1
InChIKeyZVCGNOBNIWWTLP-ZDUSSCGKSA-N
MW307.40 g/mol
LogP4.20
Rot. Bonds5

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

(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine (PubChem CID 97334733) has the molecular formula C19H21N3O and a molecular weight of 307.40 g/mol. Its IUPAC name is (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine.

Molecular Properties

Compound Name(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
PubChem CID97334733
Molecular FormulaC19H21N3O
Molecular Weight307.40 g/mol
Exact Mass307.17
IUPAC Name(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
SMILESCc1noc(C)c1CN[C@@H](C)c1ccc(-c2cccnc2)cc1
InChIInChI=1S/C19H21N3O/c1-13(21-12-19-14(2)22-23-15(19)3)16-6-8-17(9-7-16)18-5-4-10-20-11-18/h4-11,13,21H,12H2,1-3H3/t13-/m0/s1
InChIKeyZVCGNOBNIWWTLP-ZDUSSCGKSA-N
XLogP4.20
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.40
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 75443598
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377
N-[(4-methyl-1,3-thiazol-2-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine
CID 71864791
(2S)-1-[[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]amino]butan-2-ol
CID 97334731
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(1S)-1-(4-pyridin-3-ylphenyl)ethyl]amino]acetamide
CID 124615499
1-(1,3-benzodioxol-5-yl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 43689451
(1R)-1-(4-methylphenyl)-N-(pyridin-3-ylmethyl)ethanamine
CID 28670989
(1S)-1-(2-bromophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]ethanamine
CID 81383318
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-pyrazol-1-ylphenyl)ethanamine
CID 75442926
N-[(4-pyridin-3-ylphenyl)methyl]propan-2-amine
CID 54911631
1-(1,2-oxazol-3-yl)-N-[(1R)-1-(4-pyridin-3-ylphenyl)ethyl]methanesulfonamide
CID 96566955

Frequently Asked Questions

What is the IUPAC name of (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine?
The IUPAC name of (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine (CID 97334733) is (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine.
What is the SMILES notation for (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine?
The canonical SMILES for (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine is Cc1noc(C)c1CN[C@@H](C)c1ccc(-c2cccnc2)cc1.
What is the InChIKey of (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine?
The InChIKey is ZVCGNOBNIWWTLP-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H21N3O/c1-13(21-12-19-14(2)22-23-15(19)3)16-6-8-17(9-7-16)18-5-4-10-20-11-18/h4-11,13,21H,12H2,1-3H3/t13-/m0/s1.
What are the key properties of (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine?
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine has a molecular weight of 307.40 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-pyridin-3-ylphenyl)ethanamine is sourced from PubChem (CID 97334733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).