4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

C17H17Cl2N3O — CID 67271981

IUPAC4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CN(Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C17H17Cl2N3O/c18-15-7-6-14(8-16(15)19)22(9-12-4-2-1-3-5-12)10-13-11-23-17(20)21-13/h1-8,13H,9-11H2,(H2,20,21)
InChIKeyYVDSVHGLYGCCBK-UHFFFAOYSA-N
MW350.25 g/mol
LogP3.71
Rot. Bonds5

About 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine

4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 67271981) has the molecular formula C17H17Cl2N3O and a molecular weight of 350.25 g/mol. Its IUPAC name is 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID67271981
Molecular FormulaC17H17Cl2N3O
Molecular Weight350.25 g/mol
Exact Mass349.07
IUPAC Name4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESNC1=NC(CN(Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CO1
InChIInChI=1S/C17H17Cl2N3O/c18-15-7-6-14(8-16(15)19)22(9-12-4-2-1-3-5-12)10-13-11-23-17(20)21-13/h1-8,13H,9-11H2,(H2,20,21)
InChIKeyYVDSVHGLYGCCBK-UHFFFAOYSA-N
XLogP3.71
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.25
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 67271981) is 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is NC1=NC(CN(Cc2ccccc2)c2ccc(Cl)c(Cl)c2)CO1.
What is the InChIKey of 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is YVDSVHGLYGCCBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O/c18-15-7-6-14(8-16(15)19)22(9-12-4-2-1-3-5-12)10-13-11-23-17(20)21-13/h1-8,13H,9-11H2,(H2,20,21).
What are the key properties of 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine?
4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 350.25 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(N-benzyl-3,4-dichloroanilino)methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 67271981), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).