5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

C10H21N3O — CID 23273884

IUPAC5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)N(CC1CN=C(N)O1)C(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)13(8(3)4)6-9-5-12-10(11)14-9/h7-9H,5-6H2,1-4H3,(H2,11,12)
InChIKeyHCWJFLOQEWDORU-UHFFFAOYSA-N
MW199.30 g/mol
LogP0.82
Rot. Bonds4

About 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine

5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (PubChem CID 23273884) has the molecular formula C10H21N3O and a molecular weight of 199.30 g/mol. Its IUPAC name is 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.

Molecular Properties

Compound Name5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
PubChem CID23273884
Molecular FormulaC10H21N3O
Molecular Weight199.30 g/mol
Exact Mass199.17
IUPAC Name5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine
SMILESCC(C)N(CC1CN=C(N)O1)C(C)C
InChIInChI=1S/C10H21N3O/c1-7(2)13(8(3)4)6-9-5-12-10(11)14-9/h7-9H,5-6H2,1-4H3,(H2,11,12)
InChIKeyHCWJFLOQEWDORU-UHFFFAOYSA-N
XLogP0.82
TPSA50.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.30
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The IUPAC name of 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine (CID 23273884) is 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine.
What is the SMILES notation for 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The canonical SMILES for 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is CC(C)N(CC1CN=C(N)O1)C(C)C.
What is the InChIKey of 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
The InChIKey is HCWJFLOQEWDORU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H21N3O/c1-7(2)13(8(3)4)6-9-5-12-10(11)14-9/h7-9H,5-6H2,1-4H3,(H2,11,12).
What are the key properties of 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine?
5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine has a molecular weight of 199.30 g/mol, XLogP of 0.82, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[di(propan-2-yl)amino]methyl]-4,5-dihydro-1,3-oxazol-2-amine is sourced from PubChem (CID 23273884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).