4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

C11H14ClN5O2 — CID 62862594

IUPAC4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1cc(CNc2nc(Cl)nc(OC(C)C)n2)on1
InChIInChI=1S/C11H14ClN5O2/c1-6(2)18-11-15-9(12)14-10(16-11)13-5-8-4-7(3)17-19-8/h4,6H,5H2,1-3H3,(H,13,14,15,16)
InChIKeyZMKMFRPFUQAWEC-UHFFFAOYSA-N
MW283.72 g/mol
LogP2.22
Rot. Bonds5

About 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine

4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (PubChem CID 62862594) has the molecular formula C11H14ClN5O2 and a molecular weight of 283.72 g/mol. Its IUPAC name is 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.

Molecular Properties

Compound Name4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
PubChem CID62862594
Molecular FormulaC11H14ClN5O2
Molecular Weight283.72 g/mol
Exact Mass283.08
IUPAC Name4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine
SMILESCc1cc(CNc2nc(Cl)nc(OC(C)C)n2)on1
InChIInChI=1S/C11H14ClN5O2/c1-6(2)18-11-15-9(12)14-10(16-11)13-5-8-4-7(3)17-19-8/h4,6H,5H2,1-3H3,(H,13,14,15,16)
InChIKeyZMKMFRPFUQAWEC-UHFFFAOYSA-N
XLogP2.22
TPSA85.96 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.72
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The IUPAC name of 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine (CID 62862594) is 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine.
What is the SMILES notation for 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The canonical SMILES for 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is Cc1cc(CNc2nc(Cl)nc(OC(C)C)n2)on1.
What is the InChIKey of 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
The InChIKey is ZMKMFRPFUQAWEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClN5O2/c1-6(2)18-11-15-9(12)14-10(16-11)13-5-8-4-7(3)17-19-8/h4,6H,5H2,1-3H3,(H,13,14,15,16).
What are the key properties of 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine?
4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine has a molecular weight of 283.72 g/mol, XLogP of 2.22, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[(3-methyl-1,2-oxazol-5-yl)methyl]-6-propan-2-yloxy-1,3,5-triazin-2-amine is sourced from PubChem (CID 62862594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).