N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine

C17H20N4O2 — CID 97339072

IUPACN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine
SMILESCC[C@@H](c1ccccc1)c1nnc(NCc2c(C)noc2C)o1
InChIInChI=1S/C17H20N4O2/c1-4-14(13-8-6-5-7-9-13)16-19-20-17(22-16)18-10-15-11(2)21-23-12(15)3/h5-9,14H,4,10H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyGFABBNHHCLSZMQ-AWEZNQCLSA-N
MW312.37 g/mol
LogP3.83
Rot. Bonds6

About N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine

N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine (PubChem CID 97339072) has the molecular formula C17H20N4O2 and a molecular weight of 312.37 g/mol. Its IUPAC name is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine
PubChem CID97339072
Molecular FormulaC17H20N4O2
Molecular Weight312.37 g/mol
Exact Mass312.16
IUPAC NameN-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine
SMILESCC[C@@H](c1ccccc1)c1nnc(NCc2c(C)noc2C)o1
InChIInChI=1S/C17H20N4O2/c1-4-14(13-8-6-5-7-9-13)16-19-20-17(22-16)18-10-15-11(2)21-23-12(15)3/h5-9,14H,4,10H2,1-3H3,(H,18,20)/t14-/m0/s1
InChIKeyGFABBNHHCLSZMQ-AWEZNQCLSA-N
XLogP3.83
TPSA76.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine with MolForge

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Related Compounds

5-(1-chloroethyl)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1,3,4-oxadiazol-2-amine
CID 106958045
(1S)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885667
(1R)-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-2,2-dimethyl-1-phenylpropan-1-amine
CID 51885665
N-[[5-(1-phenylpropyl)-1,3,4-oxadiazol-2-yl]methyl]ethanamine
CID 62137199
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-6-methylpyridazin-3-amine
CID 79242277
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-phenyl-1-thiophen-2-ylmethanamine
CID 43224432
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinoxalin-2-amine
CID 47983697
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-1-pyridin-3-ylethanamine
CID 43183550
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5,6-dimethylpyrazin-2-amine
CID 114475971
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]quinolin-4-amine
CID 78954722
1-[(R)-cyclopropyl(phenyl)methyl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]urea
CID 97314286
3-acetamido-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-3-phenylpropanamide
CID 75462228

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine?
The IUPAC name of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine (CID 97339072) is N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine?
The canonical SMILES for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine is CC[C@@H](c1ccccc1)c1nnc(NCc2c(C)noc2C)o1.
What is the InChIKey of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine?
The InChIKey is GFABBNHHCLSZMQ-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H20N4O2/c1-4-14(13-8-6-5-7-9-13)16-19-20-17(22-16)18-10-15-11(2)21-23-12(15)3/h5-9,14H,4,10H2,1-3H3,(H,18,20)/t14-/m0/s1.
What are the key properties of N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine?
N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine has a molecular weight of 312.37 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-[(1S)-1-phenylpropyl]-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 97339072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).