4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide

C15H25N3O3 — CID 120933208

IUPAC4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide
SMILESCC(C)(C)c1cnc(CNC(=O)C2(CN)CCOCC2)o1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)11-8-17-12(21-11)9-18-13(19)15(10-16)4-6-20-7-5-15/h8H,4-7,9-10,16H2,1-3H3,(H,18,19)
InChIKeyVIVZTLKIBFINAE-UHFFFAOYSA-N
MW295.38 g/mol
LogP1.34
Rot. Bonds4

About 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide

4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide (PubChem CID 120933208) has the molecular formula C15H25N3O3 and a molecular weight of 295.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide
PubChem CID120933208
Molecular FormulaC15H25N3O3
Molecular Weight295.38 g/mol
Exact Mass295.19
IUPAC Name4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide
SMILESCC(C)(C)c1cnc(CNC(=O)C2(CN)CCOCC2)o1
InChIInChI=1S/C15H25N3O3/c1-14(2,3)11-8-17-12(21-11)9-18-13(19)15(10-16)4-6-20-7-5-15/h8H,4-7,9-10,16H2,1-3H3,(H,18,19)
InChIKeyVIVZTLKIBFINAE-UHFFFAOYSA-N
XLogP1.34
TPSA90.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.38
LogP ≤ 51.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide?
The IUPAC name of 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide (CID 120933208) is 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide.
What is the SMILES notation for 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide?
The canonical SMILES for 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide is CC(C)(C)c1cnc(CNC(=O)C2(CN)CCOCC2)o1.
What is the InChIKey of 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide?
The InChIKey is VIVZTLKIBFINAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O3/c1-14(2,3)11-8-17-12(21-11)9-18-13(19)15(10-16)4-6-20-7-5-15/h8H,4-7,9-10,16H2,1-3H3,(H,18,19).
What are the key properties of 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide?
4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide has a molecular weight of 295.38 g/mol, XLogP of 1.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[(5-tert-butyl-1,3-oxazol-2-yl)methyl]oxane-4-carboxamide is sourced from PubChem (CID 120933208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).