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

C16H23N3O — CID 79146052

IUPACN,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline
SMILESCC(C)CNCc1ncoc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-12(2)9-17-10-15-16(20-11-18-15)13-5-7-14(8-6-13)19(3)4/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyUMTQDQNNJBBMLP-UHFFFAOYSA-N
MW273.38 g/mol
LogP3.15
Rot. Bonds6

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

N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline (PubChem CID 79146052) has the molecular formula C16H23N3O and a molecular weight of 273.38 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline
PubChem CID79146052
Molecular FormulaC16H23N3O
Molecular Weight273.38 g/mol
Exact Mass273.18
IUPAC NameN,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline
SMILESCC(C)CNCc1ncoc1-c1ccc(N(C)C)cc1
InChIInChI=1S/C16H23N3O/c1-12(2)9-17-10-15-16(20-11-18-15)13-5-7-14(8-6-13)19(3)4/h5-8,11-12,17H,9-10H2,1-4H3
InChIKeyUMTQDQNNJBBMLP-UHFFFAOYSA-N
XLogP3.15
TPSA41.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.38
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline?
The IUPAC name of N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline (CID 79146052) is N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline?
The canonical SMILES for N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline is CC(C)CNCc1ncoc1-c1ccc(N(C)C)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline?
The InChIKey is UMTQDQNNJBBMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O/c1-12(2)9-17-10-15-16(20-11-18-15)13-5-7-14(8-6-13)19(3)4/h5-8,11-12,17H,9-10H2,1-4H3.
What are the key properties of N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline?
N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline has a molecular weight of 273.38 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-[(2-methylpropylamino)methyl]-1,3-oxazol-5-yl]aniline is sourced from PubChem (CID 79146052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).