[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine

C12H13ClN2O2 — CID 62458540

IUPAC[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCc1cc(Cl)ccc1OCc1cc(CN)no1
InChIInChI=1S/C12H13ClN2O2/c1-8-4-9(13)2-3-12(8)16-7-11-5-10(6-14)15-17-11/h2-5H,6-7,14H2,1H3
InChIKeyPHMSADCLVNJHKK-UHFFFAOYSA-N
MW252.70 g/mol
LogP2.67
Rot. Bonds4

About [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine

[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine (PubChem CID 62458540) has the molecular formula C12H13ClN2O2 and a molecular weight of 252.70 g/mol. Its IUPAC name is [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine.

Molecular Properties

Compound Name[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
PubChem CID62458540
Molecular FormulaC12H13ClN2O2
Molecular Weight252.70 g/mol
Exact Mass252.07
IUPAC Name[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
SMILESCc1cc(Cl)ccc1OCc1cc(CN)no1
InChIInChI=1S/C12H13ClN2O2/c1-8-4-9(13)2-3-12(8)16-7-11-5-10(6-14)15-17-11/h2-5H,6-7,14H2,1H3
InChIKeyPHMSADCLVNJHKK-UHFFFAOYSA-N
XLogP2.67
TPSA61.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.70
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine 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

5-[(4-chloro-2-methylphenoxy)methyl]-3-phenyl-1,2-oxazole
CID 1484373
[5-[(4-chloro-2-methylphenoxy)methyl]-2-methylfuran-3-yl]methanamine
CID 62460326
[5-[(2-ethyl-6-methyl-3-pyridinyl)oxymethyl]-1,2-oxazol-3-yl]methanamine
CID 103175605
[5-[(3-chloro-4-fluorophenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63877646
[5-[(4-bromo-2-propan-2-ylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 115402782
[4-[(4-chloro-2-methylphenoxy)methyl]phenyl]-trimethylsilane
CID 103438613
1-[5-[(4-chloro-2-methylphenoxy)methyl]furan-2-yl]-N-methylmethanamine
CID 55076714
[5-[(2-methylsulfanylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine
CID 63647898
1-[5-[(2,5-dichlorophenoxy)methyl]-1,2-oxazol-3-yl]-N-methylmethanamine
CID 55077884
4-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 79582746
5-chloro-2-[(4-chloro-2-methylphenoxy)methyl]aniline
CID 62101754
N-[[5-[(2,4-dimethylphenoxy)methyl]-1,2-oxazol-3-yl]methyl]ethanamine
CID 62452940

Frequently Asked Questions

What is the IUPAC name of [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The IUPAC name of [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine (CID 62458540) is [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine.
What is the SMILES notation for [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The canonical SMILES for [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine is Cc1cc(Cl)ccc1OCc1cc(CN)no1.
What is the InChIKey of [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
The InChIKey is PHMSADCLVNJHKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13ClN2O2/c1-8-4-9(13)2-3-12(8)16-7-11-5-10(6-14)15-17-11/h2-5H,6-7,14H2,1H3.
What are the key properties of [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine?
[5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine has a molecular weight of 252.70 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[(4-chloro-2-methylphenoxy)methyl]-1,2-oxazol-3-yl]methanamine is sourced from PubChem (CID 62458540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).