(4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C13H18ClN3O2 — CID 25016024

IUPAC(4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@H]1COC(N)=N1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-17(7-9-8-19-13(15)16-9)10-4-5-11(14)12(6-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H2,15,16)/t9-/m0/s1
InChIKeySNNUVIMSKSREKD-VIFPVBQESA-N
MW283.76 g/mol
LogP1.89
Rot. Bonds5

About (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

(4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 25016024) has the molecular formula C13H18ClN3O2 and a molecular weight of 283.76 g/mol. Its IUPAC name is (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name(4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID25016024
Molecular FormulaC13H18ClN3O2
Molecular Weight283.76 g/mol
Exact Mass283.11
IUPAC Name(4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCCN(C[C@H]1COC(N)=N1)c1ccc(Cl)c(OC)c1
InChIInChI=1S/C13H18ClN3O2/c1-3-17(7-9-8-19-13(15)16-9)10-4-5-11(14)12(6-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H2,15,16)/t9-/m0/s1
InChIKeySNNUVIMSKSREKD-VIFPVBQESA-N
XLogP1.89
TPSA60.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.76
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-4-[(3,4-dichloro-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 25016534
(4S)-4-[(4-chloro-3-methoxy-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 25016025
(4R)-4-[[ethyl(naphthalen-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 25019881
4-[(N-ethyl-3-fluoroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271900
4-[(N-ethyl-3-iodoanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 143735133
(4R)-4-[(4-chloro-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine;(4R)-4-[(4-fluoro-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 159766024
4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271981
4-[(3-cyclopropyl-N-ethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271693
4-[(N,4-dimethylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67270363
(4S)-4-[(2R)-2-(4-chloro-3-fluorophenoxy)butyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67178117
4-[(3-ethyl-N-methylanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
CID 67271680
N,N-diethyl-3,4-dimethoxyaniline
CID 82538204

Frequently Asked Questions

What is the IUPAC name of (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 25016024) is (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is CCN(C[C@H]1COC(N)=N1)c1ccc(Cl)c(OC)c1.
What is the InChIKey of (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is SNNUVIMSKSREKD-VIFPVBQESA-N. The full InChI is InChI=1S/C13H18ClN3O2/c1-3-17(7-9-8-19-13(15)16-9)10-4-5-11(14)12(6-10)18-2/h4-6,9H,3,7-8H2,1-2H3,(H2,15,16)/t9-/m0/s1.
What are the key properties of (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
(4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 283.76 g/mol, XLogP of 1.89, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-[(4-chloro-N-ethyl-3-methoxyanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 25016024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).