N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline

C12H12F2N2O — CID 54882181

IUPACN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline
SMILESCc1nc(CNc2cc(F)cc(F)c2)oc1C
InChIInChI=1S/C12H12F2N2O/c1-7-8(2)17-12(16-7)6-15-11-4-9(13)3-10(14)5-11/h3-5,15H,6H2,1-2H3
InChIKeyUOBZXZMEQCVEPD-UHFFFAOYSA-N
MW238.24 g/mol
LogP3.18
Rot. Bonds3

About N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline

N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline (PubChem CID 54882181) has the molecular formula C12H12F2N2O and a molecular weight of 238.24 g/mol. Its IUPAC name is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline.

Molecular Properties

Compound NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline
PubChem CID54882181
Molecular FormulaC12H12F2N2O
Molecular Weight238.24 g/mol
Exact Mass238.09
IUPAC NameN-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline
SMILESCc1nc(CNc2cc(F)cc(F)c2)oc1C
InChIInChI=1S/C12H12F2N2O/c1-7-8(2)17-12(16-7)6-15-11-4-9(13)3-10(14)5-11/h3-5,15H,6H2,1-2H3
InChIKeyUOBZXZMEQCVEPD-UHFFFAOYSA-N
XLogP3.18
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.24
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-chloro-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3-fluoroaniline
CID 54955535
4-bromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 60972696
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-fluoro-5-methylaniline
CID 54882236
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2,3,5,6-tetrafluoropyridin-4-amine
CID 113254675
4-(difluoromethylsulfonyl)-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]aniline
CID 103894474
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-(trifluoromethoxy)aniline
CID 60972691
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-6-fluoropyridin-2-amine
CID 106375630
3-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5-nitrobenzene-1,3-diamine
CID 106378825
2,6-dibromo-N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-methylaniline
CID 54882260
4-[(4,5-dimethyl-1,3-oxazol-2-yl)methylamino]benzoic acid
CID 114180477
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-4-pyrrolidin-1-ylaniline
CID 63179959
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-methylsulfanylaniline
CID 113252858

Frequently Asked Questions

What is the IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline?
The IUPAC name of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline (CID 54882181) is N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline.
What is the SMILES notation for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline?
The canonical SMILES for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline is Cc1nc(CNc2cc(F)cc(F)c2)oc1C.
What is the InChIKey of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline?
The InChIKey is UOBZXZMEQCVEPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F2N2O/c1-7-8(2)17-12(16-7)6-15-11-4-9(13)3-10(14)5-11/h3-5,15H,6H2,1-2H3.
What are the key properties of N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline?
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline has a molecular weight of 238.24 g/mol, XLogP of 3.18, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-3,5-difluoroaniline is sourced from PubChem (CID 54882181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).