N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine

C16H18N4O3 — CID 134569096

IUPACN-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine
SMILESCCCCNc1ncncc1OCc1cc(-c2ccco2)on1
InChIInChI=1S/C16H18N4O3/c1-2-3-6-18-16-15(9-17-11-19-16)22-10-12-8-14(23-20-12)13-5-4-7-21-13/h4-5,7-9,11H,2-3,6,10H2,1H3,(H,17,18,19)
InChIKeyHPGJMGOAGSLQKQ-UHFFFAOYSA-N
MW314.34 g/mol
LogP3.52
Rot. Bonds8

About N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine

N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine (PubChem CID 134569096) has the molecular formula C16H18N4O3 and a molecular weight of 314.34 g/mol. Its IUPAC name is N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine.

Molecular Properties

Compound NameN-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine
PubChem CID134569096
Molecular FormulaC16H18N4O3
Molecular Weight314.34 g/mol
Exact Mass314.14
IUPAC NameN-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine
SMILESCCCCNc1ncncc1OCc1cc(-c2ccco2)on1
InChIInChI=1S/C16H18N4O3/c1-2-3-6-18-16-15(9-17-11-19-16)22-10-12-8-14(23-20-12)13-5-4-7-21-13/h4-5,7-9,11H,2-3,6,10H2,1H3,(H,17,18,19)
InChIKeyHPGJMGOAGSLQKQ-UHFFFAOYSA-N
XLogP3.52
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.34
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine with MolForge

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Related Compounds

3-[(2,4-dimethylphenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
CID 112797314
5-(furan-2-yl)-3-[(2,3,5-trimethylphenoxy)methyl]-1,2-oxazole
CID 112797313
2-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]-4-methoxybenzamide
CID 18089227
N-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methyl]-2-methylpropan-2-amine
CID 78925092
3-[(4-bromo-2-fluorophenoxy)methyl]-5-(furan-2-yl)-1,2-oxazole
CID 9354046
N-butyl-5-(3-pyridin-4-ylpropoxy)pyrimidin-4-amine
CID 134568908
N-butyl-5-[(1S)-1-phenylethoxy]pyrimidin-4-amine
CID 134569132
1-[5-(furan-2-yl)-1,2-oxazol-3-yl]-N-methylmethanamine
CID 7537518
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine
CID 7060533
4-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]benzoic acid
CID 43214757
[5-(furan-2-yl)-1,2-oxazol-3-yl]methanamine;hydrochloride
CID 53398902
5-(furan-2-yl)-3-[[4-(tetrazol-1-yl)phenoxy]methyl]-1,2-oxazole
CID 26676390

Frequently Asked Questions

What is the IUPAC name of N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine?
The IUPAC name of N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine (CID 134569096) is N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine.
What is the SMILES notation for N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine?
The canonical SMILES for N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine is CCCCNc1ncncc1OCc1cc(-c2ccco2)on1.
What is the InChIKey of N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine?
The InChIKey is HPGJMGOAGSLQKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-2-3-6-18-16-15(9-17-11-19-16)22-10-12-8-14(23-20-12)13-5-4-7-21-13/h4-5,7-9,11H,2-3,6,10H2,1H3,(H,17,18,19).
What are the key properties of N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine?
N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine has a molecular weight of 314.34 g/mol, XLogP of 3.52, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-5-[[5-(furan-2-yl)-1,2-oxazol-3-yl]methoxy]pyrimidin-4-amine is sourced from PubChem (CID 134569096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).