N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline

C16H18N2O — CID 6929903

IUPACN,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline
SMILESCc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)O2
InChIInChI=1S/C16H18N2O/c1-11-4-9-15-14(10-11)17-16(19-15)12-5-7-13(8-6-12)18(2)3/h4-10,16-17H,1-3H3/t16-/m0/s1
InChIKeyUXVPRBJABPZLAA-INIZCTEOSA-N
MW254.33 g/mol
LogP3.56
Rot. Bonds2

About N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline

N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline (PubChem CID 6929903) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline
PubChem CID6929903
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC NameN,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline
SMILESCc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)O2
InChIInChI=1S/C16H18N2O/c1-11-4-9-15-14(10-11)17-16(19-15)12-5-7-13(8-6-12)18(2)3/h4-10,16-17H,1-3H3/t16-/m0/s1
InChIKeyUXVPRBJABPZLAA-INIZCTEOSA-N
XLogP3.56
TPSA24.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5,7-ditert-butyl-2,3-dihydro-1,3-benzoxazol-2-yl)-N,N-dimethylaniline
CID 4039771
2-[4-(diethylamino)phenyl]-2,3-dihydro-1,3-benzoxazole-5-carbaldehyde
CID 143556835
2-[4-(2,3-dihydro-1,3-benzoxazol-2-yl)phenyl]-2,3-dihydro-1,3-benzoxazole
CID 66584986
2-methyl-6-(4-methylphenyl)-5,6-dihydro-[1,3]oxazolo[4,5-f][1,3]benzoxazole
CID 123220813
(2S)-5-chloro-2-(4-methoxyphenyl)-2,3-dihydro-1,3-benzoxazole
CID 6929817
3-chloro-4-[(2S)-2,3-dihydro-1,3-benzoxazol-2-yl]-N,N-dimethylaniline
CID 6929827
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)ethanol
CID 84620897
2,2,8-trimethyl-1,3,4,4a,10,10a-hexahydrophenoxazine
CID 115825597
2-(3,6-dimethyl-3,4-dihydro-2H-1,4-benzoxazin-2-yl)acetonitrile
CID 84619869
(2S)-2-[4-(dimethylamino)phenyl]-3-(3-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 1009074
1-N,1-N,4-N-trimethyl-4-N-(4-methylphenyl)benzene-1,4-diamine
CID 18736513
2-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-1,2-dihydroquinazolin-4-one
CID 23323162

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline (CID 6929903) is N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline is Cc1ccc2c(c1)N[C@H](c1ccc(N(C)C)cc1)O2.
What is the InChIKey of N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline?
The InChIKey is UXVPRBJABPZLAA-INIZCTEOSA-N. The full InChI is InChI=1S/C16H18N2O/c1-11-4-9-15-14(10-11)17-16(19-15)12-5-7-13(8-6-12)18(2)3/h4-10,16-17H,1-3H3/t16-/m0/s1.
What are the key properties of N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline?
N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline has a molecular weight of 254.33 g/mol, XLogP of 3.56, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[(2S)-5-methyl-2,3-dihydro-1,3-benzoxazol-2-yl]aniline is sourced from PubChem (CID 6929903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).