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

C14H18N2O — CID 28780736

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2c(C)noc2C)c(C)c1
InChIInChI=1S/C14H18N2O/c1-9-5-6-14(10(2)7-9)15-8-13-11(3)16-17-12(13)4/h5-7,15H,8H2,1-4H3
InChIKeyIQIPBHCDMRIJDU-UHFFFAOYSA-N
MW230.31 g/mol
LogP3.52
Rot. Bonds3

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

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline (PubChem CID 28780736) has the molecular formula C14H18N2O and a molecular weight of 230.31 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline
PubChem CID28780736
Molecular FormulaC14H18N2O
Molecular Weight230.31 g/mol
Exact Mass230.14
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline
SMILESCc1ccc(NCc2c(C)noc2C)c(C)c1
InChIInChI=1S/C14H18N2O/c1-9-5-6-14(10(2)7-9)15-8-13-11(3)16-17-12(13)4/h5-7,15H,8H2,1-4H3
InChIKeyIQIPBHCDMRIJDU-UHFFFAOYSA-N
XLogP3.52
TPSA38.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-5-methylbenzonitrile
CID 107927620
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-methylpyridin-3-amine
CID 63329724
1-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-4-fluorobenzene-1,2-diamine
CID 79225192
4-bromo-2,3-dichloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]aniline
CID 113429964
N-[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylphenyl]acetamide
CID 43739641
4-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-(trifluoromethyl)aniline
CID 60792213
2-chloro-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-iodoaniline
CID 113254936
methyl 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4-methylbenzoate
CID 36587966
3-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2-methylbenzene-1,3-diamine
CID 79236204
3-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-methylaniline
CID 104937892
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methylamino]-4,5-dimethylbenzenesulfonamide
CID 43684742
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline (CID 28780736) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline is Cc1ccc(NCc2c(C)noc2C)c(C)c1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline?
The InChIKey is IQIPBHCDMRIJDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O/c1-9-5-6-14(10(2)7-9)15-8-13-11(3)16-17-12(13)4/h5-7,15H,8H2,1-4H3.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline has a molecular weight of 230.31 g/mol, XLogP of 3.52, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,4-dimethylaniline is sourced from PubChem (CID 28780736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).