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

C19H20ClN3O — CID 129471522

IUPAC(1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1noc(C)c1CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C19H20ClN3O/c1-13-17(14(2)24-23-13)12-22-19(18-5-3-4-10-21-18)11-15-6-8-16(20)9-7-15/h3-10,19,22H,11-12H2,1-2H3/t19-/m0/s1
InChIKeyOTDYHCUBBLTLRO-IBGZPJMESA-N
MW341.84 g/mol
LogP4.41
Rot. Bonds6

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

(1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine (PubChem CID 129471522) has the molecular formula C19H20ClN3O and a molecular weight of 341.84 g/mol. Its IUPAC name is (1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine.

Molecular Properties

Compound Name(1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine
PubChem CID129471522
Molecular FormulaC19H20ClN3O
Molecular Weight341.84 g/mol
Exact Mass341.13
IUPAC Name(1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine
SMILESCc1noc(C)c1CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1
InChIInChI=1S/C19H20ClN3O/c1-13-17(14(2)24-23-13)12-22-19(18-5-3-4-10-21-18)11-15-6-8-16(20)9-7-15/h3-10,19,22H,11-12H2,1-2H3/t19-/m0/s1
InChIKeyOTDYHCUBBLTLRO-IBGZPJMESA-N
XLogP4.41
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.84
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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Related Compounds

1-[[2-(4-chlorophenyl)-1-pyridin-2-ylethyl]amino]-4-propan-2-yloxybutan-2-ol
CID 166219934
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 63260892
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-3-phenylpropan-1-ol
CID 102610247
2-(4-chlorophenyl)-1-pyridin-2-ylethanol
CID 60798834
2-(3,4-dichlorophenyl)-N-methyl-1-pyridin-2-ylethanamine
CID 62601667
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenoxypropan-2-amine
CID 50960435
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885665
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667
2-(2,6-dichlorophenyl)-N-ethyl-1-pyridin-2-ylethanamine
CID 62602818
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(3-fluorophenyl)propan-2-amine
CID 115712429
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(4-propan-2-ylphenyl)ethanamine
CID 43223377
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-(2-ethoxyphenyl)ethanamine
CID 79237158

Frequently Asked Questions

What is the IUPAC name of (1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The IUPAC name of (1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine (CID 129471522) is (1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine.
What is the SMILES notation for (1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The canonical SMILES for (1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine is Cc1noc(C)c1CN[C@@H](Cc1ccc(Cl)cc1)c1ccccn1.
What is the InChIKey of (1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
The InChIKey is OTDYHCUBBLTLRO-IBGZPJMESA-N. The full InChI is InChI=1S/C19H20ClN3O/c1-13-17(14(2)24-23-13)12-22-19(18-5-3-4-10-21-18)11-15-6-8-16(20)9-7-15/h3-10,19,22H,11-12H2,1-2H3/t19-/m0/s1.
What are the key properties of (1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine?
(1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine has a molecular weight of 341.84 g/mol, XLogP of 4.41, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1S)-2-(4-chlorophenyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-2-ylethanamine is sourced from PubChem (CID 129471522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).