2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride

C16H24ClN3O — CID 120966482

IUPAC2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride
SMILESCC(C)C(C)(CN)NCc1cc(-c2ccccc2)on1.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-12(2)16(3,11-17)18-10-14-9-15(20-19-14)13-7-5-4-6-8-13;/h4-9,12,18H,10-11,17H2,1-3H3;1H
InChIKeyALNAFDCVWSXQNV-UHFFFAOYSA-N
MW309.84 g/mol
LogP3.23
Rot. Bonds6

About 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride

2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride (PubChem CID 120966482) has the molecular formula C16H24ClN3O and a molecular weight of 309.84 g/mol. Its IUPAC name is 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride.

Molecular Properties

Compound Name2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride
PubChem CID120966482
Molecular FormulaC16H24ClN3O
Molecular Weight309.84 g/mol
Exact Mass309.16
IUPAC Name2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride
SMILESCC(C)C(C)(CN)NCc1cc(-c2ccccc2)on1.Cl
InChIInChI=1S/C16H23N3O.ClH/c1-12(2)16(3,11-17)18-10-14-9-15(20-19-14)13-7-5-4-6-8-13;/h4-9,12,18H,10-11,17H2,1-3H3;1H
InChIKeyALNAFDCVWSXQNV-UHFFFAOYSA-N
XLogP3.23
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.84
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride with MolForge

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Related Compounds

2-methyl-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]propan-2-amine
CID 112723924
N-(1-amino-2,3-dimethylbutan-2-yl)-5-phenyl-1,2-oxazole-3-carboxamide;hydrochloride
CID 119606599
N'-ethyl-2,2-dimethyl-N'-[(5-phenyl-1,2-oxazol-3-yl)methyl]propane-1,3-diamine
CID 79664342
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]prop-2-en-1-amine
CID 162624310
1-(5-phenyl-1,2-oxazol-3-yl)butan-2-amine
CID 170889270
2,4-bis(methylsulfonyl)-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]aniline
CID 133282889
1-(4-hydroxy-3-methylbutan-2-yl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]urea
CID 111455140
2,3-dimethyl-2-N-(naphthalen-2-ylmethyl)butane-1,2-diamine
CID 119929198
N-[(5-phenyl-1,2-oxazol-3-yl)methyl]cyclopentanamine
CID 170752500
2-methyl-1-(2-methyl-2-methylsulfanylpropyl)-3-[(5-phenyl-1,2-oxazol-3-yl)methyl]guanidine
CID 111609864
3-methyl-1-[(5-phenyl-1,2-oxazol-3-yl)methylamino]hex-5-en-3-ol
CID 134232686
2-[(5-phenyl-1,2-oxazol-3-yl)methylamino]-1,3-thiazole-5-sulfonamide
CID 86818334

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride?
The IUPAC name of 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride (CID 120966482) is 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride.
What is the SMILES notation for 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride?
The canonical SMILES for 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride is CC(C)C(C)(CN)NCc1cc(-c2ccccc2)on1.Cl.
What is the InChIKey of 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride?
The InChIKey is ALNAFDCVWSXQNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O.ClH/c1-12(2)16(3,11-17)18-10-14-9-15(20-19-14)13-7-5-4-6-8-13;/h4-9,12,18H,10-11,17H2,1-3H3;1H.
What are the key properties of 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride?
2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride has a molecular weight of 309.84 g/mol, XLogP of 3.23, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethyl-2-N-[(5-phenyl-1,2-oxazol-3-yl)methyl]butane-1,2-diamine;hydrochloride is sourced from PubChem (CID 120966482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).