N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine

C8H15N3O — CID 82412757

IUPACN,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine
SMILESCN(C)C(CCN)c1cnco1
InChIInChI=1S/C8H15N3O/c1-11(2)7(3-4-9)8-5-10-6-12-8/h5-7H,3-4,9H2,1-2H3
InChIKeyTUJVMSCFVSHKFD-UHFFFAOYSA-N
MW169.23 g/mol
LogP0.63
Rot. Bonds4

About N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine

N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine (PubChem CID 82412757) has the molecular formula C8H15N3O and a molecular weight of 169.23 g/mol. Its IUPAC name is N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine
PubChem CID82412757
Molecular FormulaC8H15N3O
Molecular Weight169.23 g/mol
Exact Mass169.12
IUPAC NameN,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine
SMILESCN(C)C(CCN)c1cnco1
InChIInChI=1S/C8H15N3O/c1-11(2)7(3-4-9)8-5-10-6-12-8/h5-7H,3-4,9H2,1-2H3
InChIKeyTUJVMSCFVSHKFD-UHFFFAOYSA-N
XLogP0.63
TPSA55.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.23
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1,3-benzoxazol-6-yl)-N,N-dimethylbutane-1,4-diamine
CID 116905174
bis(1,3-oxazol-5-yl)methanol
CID 175811606
(1S)-N,N-dimethyl-1-thiophen-3-ylpropane-1,3-diamine
CID 134307108
4-amino-4-(1,3-oxazol-5-yl)butanoic acid
CID 82598143
4-amino-3-(1,3-oxazol-5-yl)butanoic acid
CID 82598142
2-amino-3-methyl-1-(1,3-oxazol-5-yl)butan-1-ol
CID 82412434
N,N-dimethyl-1-(3-methylimidazol-4-yl)ethane-1,2-diamine
CID 66118363
N-(3-aminopropyl)-1,3-oxazole-5-carboxamide
CID 83617625
3-N,3-N,4-N,4-N-tetramethylhexane-1,3,4,6-tetramine
CID 57125116
N-pentan-2-yl-1,3-oxazole-5-carboxamide
CID 133148199
1-(4-ethoxy-2,5-dimethylphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112518773
1-(2,4-dimethoxyphenyl)-N,N-dimethylpropane-1,3-diamine
CID 112508474

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine?
The IUPAC name of N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine (CID 82412757) is N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine.
What is the SMILES notation for N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine?
The canonical SMILES for N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine is CN(C)C(CCN)c1cnco1.
What is the InChIKey of N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine?
The InChIKey is TUJVMSCFVSHKFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H15N3O/c1-11(2)7(3-4-9)8-5-10-6-12-8/h5-7H,3-4,9H2,1-2H3.
What are the key properties of N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine?
N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine has a molecular weight of 169.23 g/mol, XLogP of 0.63, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-(1,3-oxazol-5-yl)propane-1,3-diamine is sourced from PubChem (CID 82412757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).