5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine

C20H18Cl2N4O2 — CID 66629043

IUPAC5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
SMILESNc1ncc(Cc2cccc(Cl)c2)o1.Nc1ncc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/2C10H9ClN2O/c2*11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h2*1-4,6H,5H2,(H2,12,13)
InChIKeyYZIZCUAGJBKOPY-UHFFFAOYSA-N
MW417.30 g/mol
LogP5.00
Rot. Bonds4

About 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine

5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine (PubChem CID 66629043) has the molecular formula C20H18Cl2N4O2 and a molecular weight of 417.30 g/mol. Its IUPAC name is 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
PubChem CID66629043
Molecular FormulaC20H18Cl2N4O2
Molecular Weight417.30 g/mol
Exact Mass416.08
IUPAC Name5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine
SMILESNc1ncc(Cc2cccc(Cl)c2)o1.Nc1ncc(Cc2cccc(Cl)c2)o1
InChIInChI=1S/2C10H9ClN2O/c2*11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h2*1-4,6H,5H2,(H2,12,13)
InChIKeyYZIZCUAGJBKOPY-UHFFFAOYSA-N
XLogP5.00
TPSA104.10 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.30
LogP ≤ 55.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[5-[(3-chlorophenyl)methyl]furan-2-yl]methanamine
CID 23130572
5-chloro-2-[(3-chlorophenyl)methyl]-1,3-benzoxazol-6-amine
CID 115539645
4-chloro-2-[(3-chlorophenyl)methyl]aniline
CID 21497394
[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]methanamine
CID 61280552
4-[5-[(3-chlorophenyl)methyl]-1,3,4-oxadiazol-2-yl]aniline
CID 19542259
2-[(3-chlorophenyl)methyl]-5-(3-chloropropyl)-1,3,4-oxadiazole
CID 62503900
4-[(3-chlorophenyl)methyl]pyridin-2-amine;ethane
CID 155700046
2-chloro-4-[(3-chlorophenyl)methoxy]pyrimidin-5-amine
CID 114044146
[5-chloro-4-[(3-chlorophenyl)methyl]furan-2-yl]methanol
CID 118628444
5-[(3-chlorophenyl)methyl]-2-[(3R)-1-pyrimidin-2-ylpyrrolidin-3-yl]-1,3-oxazole
CID 124990277
5-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-5-yl]-1,3,4-thiadiazol-2-amine
CID 82422602
3-[(3-chlorophenyl)methyl]-[1,2,4]triazolo[4,3-a]pyridin-8-amine
CID 117146911

Frequently Asked Questions

What is the IUPAC name of 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine?
The IUPAC name of 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine (CID 66629043) is 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine?
The canonical SMILES for 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine is Nc1ncc(Cc2cccc(Cl)c2)o1.Nc1ncc(Cc2cccc(Cl)c2)o1.
What is the InChIKey of 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine?
The InChIKey is YZIZCUAGJBKOPY-UHFFFAOYSA-N. The full InChI is InChI=1S/2C10H9ClN2O/c2*11-8-3-1-2-7(4-8)5-9-6-13-10(12)14-9/h2*1-4,6H,5H2,(H2,12,13).
What are the key properties of 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine?
5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine has a molecular weight of 417.30 g/mol, XLogP of 5.00, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-amine is sourced from PubChem (CID 66629043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).