4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline

C12H12Cl2N2O2 — CID 99830762

IUPAC4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCOc1cc(Cl)c(Cl)cc1NCc1ncc(C)o1
InChIInChI=1S/C12H12Cl2N2O2/c1-7-5-16-12(18-7)6-15-10-3-8(13)9(14)4-11(10)17-2/h3-5,15H,6H2,1-2H3
InChIKeyRBHIQCUNZHDEBH-UHFFFAOYSA-N
MW287.15 g/mol
LogP3.91
Rot. Bonds4

About 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline

4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline (PubChem CID 99830762) has the molecular formula C12H12Cl2N2O2 and a molecular weight of 287.15 g/mol. Its IUPAC name is 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline.

Molecular Properties

Compound Name4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
PubChem CID99830762
Molecular FormulaC12H12Cl2N2O2
Molecular Weight287.15 g/mol
Exact Mass286.03
IUPAC Name4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
SMILESCOc1cc(Cl)c(Cl)cc1NCc1ncc(C)o1
InChIInChI=1S/C12H12Cl2N2O2/c1-7-5-16-12(18-7)6-15-10-3-8(13)9(14)4-11(10)17-2/h3-5,15H,6H2,1-2H3
InChIKeyRBHIQCUNZHDEBH-UHFFFAOYSA-N
XLogP3.91
TPSA47.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.15
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-chloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline
CID 167970186
4-methoxy-1-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzene-1,2-diamine
CID 106369624
5-chloro-2-methyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-4-nitroaniline
CID 106373677
3,5-dichloro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]pyridin-2-amine
CID 106373885
azepan-1-yl-[4-methoxy-3-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]methanone
CID 84588348
4-chloro-N-[[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-methoxy-5-methylaniline
CID 51202901
2-methoxy-4,5-dimethyl-N-[(5-methyl-1,3-oxazol-2-yl)methyl]benzenesulfonamide
CID 110660446
1-(2-chlorophenyl)-1-(2-methoxyphenyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 122145179
4-chloro-5-fluoro-N-[(5-methyl-1,3-oxazol-2-yl)methyl]-2-nitroaniline
CID 106373673
4-chloro-2-methoxy-5-methyl-N-[(3-methyl-2-pyridinyl)methyl]aniline
CID 112649973
1-(3,4-dimethoxy-2-pyridinyl)-N-[(5-methyl-1,3-oxazol-2-yl)methyl]methanamine
CID 106371845
(S)-[5-chloro-2-[(5-methyl-1,3-oxazol-2-yl)methylamino]phenyl]-phenylmethanol
CID 99621232

Frequently Asked Questions

What is the IUPAC name of 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The IUPAC name of 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline (CID 99830762) is 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline.
What is the SMILES notation for 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The canonical SMILES for 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline is COc1cc(Cl)c(Cl)cc1NCc1ncc(C)o1.
What is the InChIKey of 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
The InChIKey is RBHIQCUNZHDEBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12Cl2N2O2/c1-7-5-16-12(18-7)6-15-10-3-8(13)9(14)4-11(10)17-2/h3-5,15H,6H2,1-2H3.
What are the key properties of 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline?
4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline has a molecular weight of 287.15 g/mol, XLogP of 3.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dichloro-2-methoxy-N-[(5-methyl-1,3-oxazol-2-yl)methyl]aniline is sourced from PubChem (CID 99830762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).