N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine

C7H13N3O — CID 117210002

IUPACN'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine
SMILESCc1oncc1NCCCN
InChIInChI=1S/C7H13N3O/c1-6-7(5-10-11-6)9-4-2-3-8/h5,9H,2-4,8H2,1H3
InChIKeyCITHAIYNLBXEAK-UHFFFAOYSA-N
MW155.20 g/mol
LogP0.74
Rot. Bonds4

About N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine

N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine (PubChem CID 117210002) has the molecular formula C7H13N3O and a molecular weight of 155.20 g/mol. Its IUPAC name is N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine.

Molecular Properties

Compound NameN'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine
PubChem CID117210002
Molecular FormulaC7H13N3O
Molecular Weight155.20 g/mol
Exact Mass155.11
IUPAC NameN'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine
SMILESCc1oncc1NCCCN
InChIInChI=1S/C7H13N3O/c1-6-7(5-10-11-6)9-4-2-3-8/h5,9H,2-4,8H2,1H3
InChIKeyCITHAIYNLBXEAK-UHFFFAOYSA-N
XLogP0.74
TPSA64.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500155.20
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N'-(5-tert-butyl-1,2-oxazol-4-yl)propane-1,3-diamine
CID 117209991
N'-(4-methyl-3-pyridinyl)propane-1,3-diamine
CID 66273701
N'-[5-(3-bromophenyl)-1,2-oxazol-4-yl]propane-1,3-diamine
CID 117209847
N-[4-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
CID 115022984
N'-[5-[[2-(trifluoromethyl)phenyl]methyl]-1,2-oxazol-4-yl]propane-1,3-diamine
CID 117210109
5-(3-aminopropylamino)-6-methyl-1H-pyrimidin-2-one
CID 117211415
4-amino-2-(5-methyl-1,2-oxazol-4-yl)butan-2-ol
CID 82412475
N-(3-aminopropyl)-4-methyl-1,2-oxazole-5-carboxamide
CID 66335116
N-(5-methyl-1,2-oxazol-4-yl)propanamide
CID 13483365
N-[3-(aminomethyl)phenyl]-5-methyl-1,2-oxazol-4-amine
CID 115022985
N'-[4-[[4-(3-aminopropylamino)-3-methylphenyl]methyl]-2-methylphenyl]propane-1,3-diamine
CID 124926554
N'-(5-methylpyrimidin-4-yl)propane-1,3-diamine
CID 139496375

Frequently Asked Questions

What is the IUPAC name of N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine?
The IUPAC name of N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine (CID 117210002) is N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine.
What is the SMILES notation for N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine?
The canonical SMILES for N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine is Cc1oncc1NCCCN.
What is the InChIKey of N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine?
The InChIKey is CITHAIYNLBXEAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H13N3O/c1-6-7(5-10-11-6)9-4-2-3-8/h5,9H,2-4,8H2,1H3.
What are the key properties of N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine?
N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine has a molecular weight of 155.20 g/mol, XLogP of 0.74, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N'-(5-methyl-1,2-oxazol-4-yl)propane-1,3-diamine is sourced from PubChem (CID 117210002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).