N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane

C18H27N3O2 — CID 144513424

IUPACN-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane
SMILESCCC.CNc1ncc(-c2cccc(C(=O)NC(C)(C)C)c2)o1
InChIInChI=1S/C15H19N3O2.C3H8/c1-15(2,3)18-13(19)11-7-5-6-10(8-11)12-9-17-14(16-4)20-12;1-3-2/h5-9H,1-4H3,(H,16,17)(H,18,19);3H2,1-2H3
InChIKeyLAXUQHJLYYUEJA-UHFFFAOYSA-N
MW317.43 g/mol
LogP4.33
Rot. Bonds3

About N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane

N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane (PubChem CID 144513424) has the molecular formula C18H27N3O2 and a molecular weight of 317.43 g/mol. Its IUPAC name is N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane.

Molecular Properties

Compound NameN-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane
PubChem CID144513424
Molecular FormulaC18H27N3O2
Molecular Weight317.43 g/mol
Exact Mass317.21
IUPAC NameN-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane
SMILESCCC.CNc1ncc(-c2cccc(C(=O)NC(C)(C)C)c2)o1
InChIInChI=1S/C15H19N3O2.C3H8/c1-15(2,3)18-13(19)11-7-5-6-10(8-11)12-9-17-14(16-4)20-12;1-3-2/h5-9H,1-4H3,(H,16,17)(H,18,19);3H2,1-2H3
InChIKeyLAXUQHJLYYUEJA-UHFFFAOYSA-N
XLogP4.33
TPSA67.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.43
LogP ≤ 54.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-3-(1-methylpyrazol-4-yl)benzamide
CID 110486270
1-[3-[2-(methylamino)-1,3-oxazol-5-yl]phenyl]cyclopropan-1-ol
CID 123432172
1-[3-[2-(2,6-difluoroanilino)-1,3-oxazol-5-yl]phenyl]ethanone
CID 158393367
3-[2-(4-hydroxyanilino)-1,3-oxazol-5-yl]benzoic acid
CID 46880468
1-[3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]phenyl]ethanone
CID 157392121
3-[2-(4-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139441300
methyl 3-(2-anilino-1,3-oxazol-5-yl)benzoate
CID 139441240
3-[2-(2-fluoroanilino)-1,3-oxazol-5-yl]benzoic acid
CID 139434520
3-[2-(3-carboxyphenyl)-1,3-oxazol-5-yl]benzoic acid
CID 57037595
methyl 3-[2-[4-(trifluoromethyl)anilino]-1,3-oxazol-5-yl]benzoate
CID 139441273
5-(4-ethylsulfonylphenyl)-N-methyl-1,3-oxazol-2-amine
CID 116832393
N-(5-phenyl-1,3-oxazol-2-yl)propanamide
CID 164603929

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane?
The IUPAC name of N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane (CID 144513424) is N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane.
What is the SMILES notation for N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane?
The canonical SMILES for N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane is CCC.CNc1ncc(-c2cccc(C(=O)NC(C)(C)C)c2)o1.
What is the InChIKey of N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane?
The InChIKey is LAXUQHJLYYUEJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2.C3H8/c1-15(2,3)18-13(19)11-7-5-6-10(8-11)12-9-17-14(16-4)20-12;1-3-2/h5-9H,1-4H3,(H,16,17)(H,18,19);3H2,1-2H3.
What are the key properties of N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane?
N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane has a molecular weight of 317.43 g/mol, XLogP of 4.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-3-[2-(methylamino)-1,3-oxazol-5-yl]benzamide;propane is sourced from PubChem (CID 144513424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).