5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine

C16H17FN4O3 — CID 128992692

IUPAC5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCc1noc(C(Nc2nc3cc(F)ccc3o2)C2CCOCC2)n1
InChIInChI=1S/C16H17FN4O3/c1-9-18-15(24-21-9)14(10-4-6-22-7-5-10)20-16-19-12-8-11(17)2-3-13(12)23-16/h2-3,8,10,14H,4-7H2,1H3,(H,19,20)
InChIKeyISBSBQLXQISWKU-UHFFFAOYSA-N
MW332.34 g/mol
LogP3.24
Rot. Bonds4

About 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine

5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine (PubChem CID 128992692) has the molecular formula C16H17FN4O3 and a molecular weight of 332.34 g/mol. Its IUPAC name is 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine
PubChem CID128992692
Molecular FormulaC16H17FN4O3
Molecular Weight332.34 g/mol
Exact Mass332.13
IUPAC Name5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine
SMILESCc1noc(C(Nc2nc3cc(F)ccc3o2)C2CCOCC2)n1
InChIInChI=1S/C16H17FN4O3/c1-9-18-15(24-21-9)14(10-4-6-22-7-5-10)20-16-19-12-8-11(17)2-3-13(12)23-16/h2-3,8,10,14H,4-7H2,1H3,(H,19,20)
InChIKeyISBSBQLXQISWKU-UHFFFAOYSA-N
XLogP3.24
TPSA86.21 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.34
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine with MolForge

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Launch Full Analysis

Related Compounds

5-fluoro-N-[(R)-oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 129471942
N-[oxan-4-yl-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methyl]-1,3-benzoxazol-2-amine
CID 128993450
6,7-difluoro-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
CID 129326566
2-(4-fluorophenyl)-N-[(R)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]acetamide
CID 129327822
7-chloro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]quinazolin-4-amine
CID 128972809
5-fluoro-N-[1-(5-methylfuran-2-yl)ethyl]-1,3-benzoxazol-2-amine
CID 133314156
N-[(3-chloro-2-fluorophenyl)methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 128976686
(1R)-N-[[5-[(1S,2R)-2-methylcyclopropyl]furan-2-yl]methyl]-1-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(oxan-4-yl)methanamine
CID 129336640
[(5-fluoro-1-benzofuran-2-yl)-(oxan-4-yl)methyl]hydrazine
CID 105229802
3-tert-butyl-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,2,4-thiadiazol-5-amine
CID 129001161
1-[(S)-(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-3-thiophen-3-ylurea
CID 129331095
N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1-phenylpiperidin-4-amine
CID 128982422

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine?
The IUPAC name of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine (CID 128992692) is 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine.
What is the SMILES notation for 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine?
The canonical SMILES for 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine is Cc1noc(C(Nc2nc3cc(F)ccc3o2)C2CCOCC2)n1.
What is the InChIKey of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine?
The InChIKey is ISBSBQLXQISWKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17FN4O3/c1-9-18-15(24-21-9)14(10-4-6-22-7-5-10)20-16-19-12-8-11(17)2-3-13(12)23-16/h2-3,8,10,14H,4-7H2,1H3,(H,19,20).
What are the key properties of 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine?
5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine has a molecular weight of 332.34 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[(3-methyl-1,2,4-oxadiazol-5-yl)-(oxan-4-yl)methyl]-1,3-benzoxazol-2-amine is sourced from PubChem (CID 128992692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).