N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine

C18H15N3O3 — CID 23563141

IUPACN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cc(C)ccc3o2)ccc1-c1cnco1
InChIInChI=1S/C18H15N3O3/c1-11-3-6-15-14(7-11)21-18(24-15)20-12-4-5-13(16(8-12)22-2)17-9-19-10-23-17/h3-10H,1-2H3,(H,20,21)
InChIKeyVBANQAOUUFOCHD-UHFFFAOYSA-N
MW321.34 g/mol
LogP4.54
Rot. Bonds4

About N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine

N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine (PubChem CID 23563141) has the molecular formula C18H15N3O3 and a molecular weight of 321.34 g/mol. Its IUPAC name is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine.

Molecular Properties

Compound NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine
PubChem CID23563141
Molecular FormulaC18H15N3O3
Molecular Weight321.34 g/mol
Exact Mass321.11
IUPAC NameN-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine
SMILESCOc1cc(Nc2nc3cc(C)ccc3o2)ccc1-c1cnco1
InChIInChI=1S/C18H15N3O3/c1-11-3-6-15-14(7-11)21-18(24-15)20-12-4-5-13(16(8-12)22-2)17-9-19-10-23-17/h3-10H,1-2H3,(H,20,21)
InChIKeyVBANQAOUUFOCHD-UHFFFAOYSA-N
XLogP4.54
TPSA73.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.34
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine?
The IUPAC name of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine (CID 23563141) is N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine.
What is the SMILES notation for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine?
The canonical SMILES for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine is COc1cc(Nc2nc3cc(C)ccc3o2)ccc1-c1cnco1.
What is the InChIKey of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine?
The InChIKey is VBANQAOUUFOCHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O3/c1-11-3-6-15-14(7-11)21-18(24-15)20-12-4-5-13(16(8-12)22-2)17-9-19-10-23-17/h3-10H,1-2H3,(H,20,21).
What are the key properties of N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine?
N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine has a molecular weight of 321.34 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-methoxy-4-(1,3-oxazol-5-yl)phenyl]-5-methyl-1,3-benzoxazol-2-amine is sourced from PubChem (CID 23563141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).